Tag: M.W:100-200

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde( cas:890652-02-5 ) is researched.Safety of 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde.Attaryan, O. S.; Sahakyan, A. A.; Tamazyan, R. A.; Ayvazyan, A. G.; Asratyan, G. V. published the article 《Synthesis, structure, and properties of pyrazole-4-carbaldehyde oximes》 about this compound( cas:890652-02-5 ) in Russian Journal of General Chemistry. Keywords: pyrazolecarbaldehyde hydroxylamine stereoselective oximation; oxime pyrazolecarbaldehyde preparation mol crystal structure acetic anhydride dehydration; cyano pyrazole preparation. Let’s learn more about this compound (cas:890652-02-5).

1-Alkyl-1H-pyrazole-4-carbaldehyde oximes (preparation shown) reacted with acetic anhydride to give the corresponding nitriles, which is typical for anti isomers of aldoximes. The anti configuration of 5-methyl-1-propyl-1H-pyrazole-4-carbaldehyde oxime (I) in crystal was unambiguously determined by X-ray anal.

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Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Alkylcyanoacetic acids》. Authors are Hessler, John C..The article about the compound:2-Cyano-2-methylpropanoic acidcas:22426-30-8,SMILESS:CC(C)(C#N)C(O)=O).Computed Properties of C5H7NO2. Through the article, more information about this compound (cas:22426-30-8) is conveyed.

α-Methyl-α-cycanopropionic acid, obtained in 2.5 g. yield from 8.7 g. of the Et ester allowed to stand overnight in running H2o with 9 g. KOH in 100 cc. MeOH, b12 132-5 °, m. 57°; silver. salt; barium salt, prisms with 18 mols. H2O. Et2C(CN)CO2H, in 31 g-yield from 42.5, g. of the ester and 28 g. KOH in 300 cc. MeOH, m. 61° (Hesse, Am.Chem. J. 18, 746(1896), gives 57°). Salts: silver, bulky precipitate; barium, needles; lead, flat flakes; calcium, needles with 3 H2O; strontium, prisms with 3 H2O; cadmium, flat plates with 3 H2O; copper, bright green rectangles with 3 H2O. From 50 g. NCCH2. CO2Et, in 100 cc. alc. and 10.2 g. Na in 250 cc. alc. treated with 80 g. PrI and allowed to stand overnight, is obtained 51.5 g. crude product (a), b24 117-30°; this is shaken in Et2O with 10% NaOH and the alk. extract acidified with dilute H2SO4 and extracted with Et2O, giving 24.9 g. α-cyanovaleric acid; silver and barium salts; Et ester, from the Ag salt and EtI, b755 218-9°, d32 0.972. The Et2O solution of (a), after extraction with NaOH, yields 17.8 g. of Et α-propyl-α-cyanovalerate, b22-3 129-32°, d26 0.93; free acid, rhombic prisms, m. 41°, becoming syrupy over H2SO4 in vacuo; after 5 days it contained 1 mol. H2O; silver salt, seps. with 1 H2O. In the same way from 50 g. NCCH2CO2Et are obtained 20.5 g. γ-methyl-α-cyanovaleric acid (silver salt, powder; barium salt, needles with 2 H2O; Et ester, b755 223-4°, d35 0.958), and 28. 1 g. Et γ-methyl-α-isobutyl-α-cyanovalerate, b755 245-50°, d31 0.915 (free acid, m. 82°; silver salt, bulky precipitate). Copper δ-methyl-α-cyanocaproate (cf. C. A. 7, 3506), blue crystalline precipitate with 7 H2O, turning green in vacuo over H2SO4; barium salt, needles with 2 H2O; chloride, liquid; anilide, needles, m. 102°. δ-Methyl-α-isoamyl-α-cyanocaproic acid, from the ester and KOH in MeOH,needles from C6H6, m. 74-5°; ammonium salt, flakes, 2.9 g. of which dissolve in 100 cc. H2O at 16°; silver salt, precipitate; copper salt, green flakes with 3 H2O; calcium salt, rhomboids with 4 H2O; amide, needles from alc., m. 152°. Lead benzylcyanoacetate, bulky crystalline precipitate with 3 H2O; calcium and barium salts, needles with 3 and 6 H2O; copper salt, deep blué precipitate with 5 H2O which it loses at 65°, turning green, m. 105-15° (decomposition); chloride, slightly colored liquid, does not distil under 35 mm. at a bath temperature of 290°. (PhCH2)2-(CN)CO2H, m. 194-5° (Cassirer, Ber. 25, 3027(1892), gives 188-9°); silver salt, precipitate; copper salt, blue precipitate with 1 H2O, turning green on drying. The Me ester, 6-sided plates from Et2O-ligroin, m. 78-9°, is obtained in 4.9 g. yield, together with 1.6 g. of the acid, when 20 g. NCCH2CO2Et in 125 cc. MeOH and 4.07 g. Na in 125 cc. MeOH are allowed to stand with 22 g. PhCH2Cl 14 h. and the fraction b15 195-260° of theproduct is shaken in Et2O with 10% NaOH.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Recommanded Product: 27828-71-3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Hydroxynicotinic acid, is researched, Molecular C6H5NO3, CAS is 27828-71-3, about The polarographic reduction of 5-substituted 3-carbamido-1-methylpyridinium iodides. Author is Ueno, Yoshio.

The polarog. behavior of 5-substituted 3-carbamoyl-1-methylpyridinium iodides at a dropping Hg electrode were studied in buffered solutions in the pH range 2-10. The substituents studied were -Br, -Cl, -OCH3, H, and -NH2. The compounds gave a polarogram consisting of 2 reduction waves in neutral or alk. buffered solutions A good linear relation was found for the compounds between the half-wave potentials and the Hammett substituent constants σm in the pH range 2-10.

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Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Zielinski, W. published an article about the compound: Isoquinolin-6-ol( cas:7651-82-3,SMILESS:OC1=CC2=C(C=NC=C2)C=C1 ).SDS of cas: 7651-82-3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:7651-82-3) through the article.

The pKa values for 1,3-dimethylisoquinoline, 1-phenyl-3-methylisoquinoline and series of 5-, 6- and 7-substituted derivatives were determined in 50% aqueous MeOH by spectrophotometric method. The pKa values for 5-, 6-, and 7-substituted isoquinoline derivatives were correlated with Hammett σ constants

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Discovery of CP-690,550: A Potent and Selective Janus Kinase (JAK) Inhibitor for the Treatment of Autoimmune Diseases and Organ Transplant Rejection, published in 2010-12-23, which mentions a compound: 22426-30-8, Name is 2-Cyano-2-methylpropanoic acid, Molecular C5H7NO2, SDS of cas: 22426-30-8.

There is a critical need for safer and more convenient treatments for organ transplant rejection and autoimmune disorders such as rheumatoid arthritis. Janus tyrosine kinases (JAK1, JAK3) are expressed in lymphoid cells and are involved in the signaling of multiple cytokines important for various T cell functions. Blockade of the JAK1/JAK3-STAT pathway with a small mol. was anticipated to provide therapeutic immunosuppression/immunomodulation. The Pfizer compound library was screened against the catalytic domain of JAK3 resulting in the identification of a pyrrolopyrimidine-based series of inhibitors represented by the hexahydrocarbazolyl pyrrolopyrimidine CP-352,664. Synthetic analogs of CP-352,664 were screened against the JAK enzymes and evaluated in an IL-2 induced T cell blast proliferation assay. Select compounds were evaluated in rodent efficacy models of allograft rejection and destructive inflammatory arthritis. Optimization within this chem. series led to identification of the cyanoacetylpiperidinylamino pyrrolopyrimidine CP-690,550, a potential first-in-class JAK inhibitor for treatment of autoimmune diseases and organ transplant rejection.

When you point to this article, it is believed that you are also very interested in this compound(22426-30-8)SDS of cas: 22426-30-8 and due to space limitations, I can only present the most important information.

Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Category: catalyst-palladium. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Hydroxynicotinic acid, is researched, Molecular C6H5NO3, CAS is 27828-71-3, about A 2-dimensional gadolinium(III) coordination polymer with 5-hydroxynicotinic acid and oxalate ligands and magnetic property. Author is Mi, Jun-long; Huang, Jing; Chen, Hong-ji.

A new coordination polymer, [Gd(III)(3-H-5-hydroxynicotinato)(ox)1.5(H2O)2]n, was synthesized by a hydrothermal reaction of Gd(NO3)3 with 5-hydroxynicotinic acid and ammonium oxalate, and its structure was determined by x-ray crystallog. with the following data: triclinic space group P1̅, C9H9NO11Gd, Mr = 464.42, a = 7.5545(11), b = 8.1094(12), c = 10.6947(16) Å, α = 103.493(2), β = 98.385(2), γ = 92.117(2)°, Z = 2, V = 628.57(16) Å3, F(000) = 444, Dc = 2.454 g.cm-3, μ = 5.341 mm-1, the final R = 0.0188 and wR = 0.0392 for 2634 observed reflections (I > 2σ(I)). In the asym. unit of the compound, each Gd(III) ion is bonded to 9 O atoms from 3-H-5-hydroxynicotinato and oxalate groups and terminal-coordinated water mols., resp., resembling a highly distorted 3-capped trigonal geometry. Adjacent GdO9 coordination polyhedra are bridged by 3 identical independent oxalate groups in a side-by-side manner forming brickwall-like 2D grids, and then further linked through intermol. H-bonds generating a 3D supramol. network. Magnetic anal. of the compound shows that weak antiferromagnetic coupling exists among the adjacent Gd(III) ions.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Synthetic Route of C5H7NO2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 2-Cyano-2-methylpropanoic acid, is researched, Molecular C5H7NO2, CAS is 22426-30-8, about Nitrilase-catalyzed selective hydrolysis of dinitriles and green access to the cyanocarboxylic acids of pharmaceutical importance. Author is Zhu, Dunming; Mukherjee, Chandrani; Biehl, Edward R.; Hua, Ling.

To further explore its synthetic applications, the nitrilase bll6402 from Bradyrhizobium japonicum strain USDA110 has been examined toward the hydrolysis of various dinitriles. It has been found that nitrilase bll6402 effectively hydrolyzed α,ω-dinitriles NCXCN [X = (CH2)n, n = 1-6, 8] to ω-cyanocarboxylic acids NCXCO2H, and the selectivity was independent of the substrate chain length. This feature is distinct from all the known nitrilases of various sources. Nitrilase bll6402 was thus applied to the synthesis of 1-cyanocycloalkaneacetic acids I [X = (CH2)n, n = 1, 2, 3], the useful precursors for the synthesis of gabapentin and its analogs.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Name: 5-Hydroxynicotinic acid. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Hydroxynicotinic acid, is researched, Molecular C6H5NO3, CAS is 27828-71-3, about Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro. Author is Katane, Masumi; Yamada, Shota; Kawaguchi, Go; Chinen, Mana; Matsumura, Maya; Ando, Takemi; Doi, Issei; Nakayama, Kazuki; Kaneko, Yuusuke; Matsuda, Satsuki; Saitoh, Yasuaki; Miyamoto, Tetsuya; Sekine, Masae; Yamaotsu, Noriyuki; Hirono, Shuichi; Homma, Hiroshi.

D-Aspartate oxidase (DDO) is a degradative enzyme that is stereospecific for acidic D-amino acids, including D-aspartate, a potential agonist of the N-methyl-D-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders, such as schizophrenia. Hence, a DDO inhibitor that increases the brain levels of D-aspartate and thereby activates NMDA receptor function is expected to be a useful compound To search for potent DDO inhibitor(s), a large number of compounds were screened in silico, and several compounds were identified as candidates. They were then characterized and evaluated as novel DDO inhibitors in vitro (e.g., the inhibitor constant value of 5-aminonicotinic acid for human DDO was 3.80 μM). The present results indicate that some of these compounds may serve as lead compounds for the development of a clin. useful DDO inhibitor and as active site probes to elucidate the structure-function relationships of DDO.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Hydroxynicotinic acid, is researched, Molecular C6H5NO3, CAS is 27828-71-3, about Kinetic reaction analysis of the pyridine derivatives in the T-for-H exchage reaction and the application to the estimation of the reactivity of unknown nicotinic acid derivatives.Application In Synthesis of 5-Hydroxynicotinic acid.

In order to quant. evaluate the influence of tritium (3H or T) in ecosystem and the reactivity of materials having H atoms, the hydrogen isotope exchange reaction (T-for-H exchange reaction) between 6-Chloronicotinic Acid (or 5,6-Dichloronicotinic Acid) and HTO vapor was observed at 50 ∼ 70°C in the gas-solid system. Applying the A””-McKay plot method to the data obtained in the reaction, the rate constants of the functional groups in each material were obtained. Comparing these constants, following four matters have been found in the T-for-H exchange reaction. (1) With regard to pyridine derivative, the reactivity of carboxyl groups depends on the number and position of chloro groups; (meta-position and para-position of chloro groups) : [para-position of chloro groups and meta-position of hydrogen) : (meta-position and para -position of hydrogen) = 1.9 :1.5 : 1.0. (2) The reactivity of the unknown nicotinate derivatives can be obtained by applying the Hammett plot obtained in this work. (3) Using the A””-McKay plot method, the reactivity of each functional group can be obtained nondestructively, quant., and be analyzed without using any masking reagent. (4) The method used in this work may be useful to determine the reactivity of the functional groups in similar materials.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Inorganic Chemistry called Enhancing the Lithium Storage Capacities of Coordination Compounds for Advanced Lithium-Ion Battery Anodes via a Coordination Chemistry Approach, Author is Liu, Hongwen; Li, Huanhuan; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng, which mentions a compound: 27828-71-3, SMILESS is O=C(O)C1=CN=CC(O)=C1, Molecular C6H5NO3, HPLC of Formula: 27828-71-3.

The effect of the water mol. on both the structural dimensionality and the lithium storage capacities of four coordination compounds was studied. Increasing the reaction temperature to remove the terminal water ligand of discrete coordination compounds [M(HNA)2(H2O)4], H2NA = 5-hydroxynicotinic acid, M = Co for the first coordination compound and Ni for the second coordination compound led to forming three-dimensional (3D) coordination polymers [M(NA)]n M = Co for the third coordination compound and Ni for the fourth coordination compound When the coordination compounds were investigated as active anode materials for lithium storage at 100 mA g-1, the relatively low capacities of 455 and 411 mA h g-1 were obtained after 60 cycles with discrete first and second, while that of the third and fourth coordination compounds showed high capacities of 618 and 610 mA h g-1 after 100 cycles. Detailed mechanism studies by powder X-ray diffraction, XPS, and SEM showed that the structural dimensionality change induced by water mols. can greatly contribute the cyclability and rate performance for coordination compounds as anode material for lithium storage.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method