5775-82-6

Basic information

• Product Name: AKOS B019512
• Synonyms: AKOS B019512;ART-CHEM-BB B019512;TIMTEC-BB SBB005613;4-Bromo-1,3-dimethyl-1H-pyrazole;4-bromo-1,3-dimethyl-1H-pyrazole(SALTDATA: FREE);4-Bromo-1,3-dimethylpyrazole
• CAS NO: 5775-82-6
• Molecular Formula: C₅H₇BrN₂
• Molecular Weight: 175.03
• Mol File: 5775-82-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 210.265°C at 760 mmHg
• Flash Point: 103 °C
• Appearance: /
• Density: 1.487 g/mL at 25 °C
• Vapor Pressure: 0.281mmHg at 25°C
• Refractive Index: 1.5214 (estimate)
• Storage Temp.: 2-8°C
• PKA: 0.68±0.10(Predicted)
• CAS DataBase Reference: AKOS B019512(CAS DataBase Reference)
• NIST Chemistry Reference: AKOS B019512(5775-82-6)
• EPA Substance Registry System: AKOS B019512(5775-82-6)

Safety Data

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39
• HazardClass: IRRITANT
• Hazardous Substances Data: 5775-82-6(Hazardous Substances Data)

Usage

Chemical Properties

White solid

InChI:InChI=1/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3

Upstream product

• 25016-12-0 1,3-dimethyl-1H-pyrazole-4-carbaldehyde 
• 103946-59-4 (1,3-dimethyl-1H-pyrazol-4-yl)methanol 
• 78703-53-4 1,3-dimethyl-1H-pyrazole-4-carboxylic acid 
• 22591-97-5 1,3-dimethyl Δ²-pyrazoline 
• 67-66-3 chloroform 
• 7726-95-6 bromine 
• 13808-64-5 4-bromo-3-methyl-1H-pyrazole 
• 74-88-4 methyl iodide 
• 124-41-4 sodium methylate 
• 694-48-4 1,3-dimethyl-1H-pyrazole 

Downstream Products

• 5744-71-8 4,5-dibromo-1,3-dimethylpyrazole 
• 84547-86-4 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid 
• 1046832-21-6 1,3-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
• 84547-91-1 4-bromo-1-methyl-5-nitropyrazole-3-carboxylic acid 
• 76689-64-0 5-amino-1,3-dimethyl-4-nitro-1H-pyrazole 
• 141573-95-7 ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate 
• 1089212-38-3 4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole 
• 1578244-05-9 N²-(4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N⁸-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine 
• 1578246-46-4 N-(4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)formamide 
• 915707-65-2 (4-bromo-1-methyl-1H-pyrazol-3-yl)methanol 
• 1612891-07-2 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide 
• 1612891-05-0 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide 
• 1612891-17-4 (R)-2-(1-((2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)oxy)ethyl)-4-fluorobenzoic acid 
• 1612891-16-3 (R)-methyl 2-(1-((2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)oxy)ethyl)-4-fluorobenzoate 

Relevant articles and documents

Bromination of 1,3-dimethyl- and 1,5-dimethyl-1H-pyrazole-4-carboxylic acids [1]

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Bromination of 1,3- and 1,5-dimethyl-1H-pyrazole-4-carbaldehydes

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Preparation method of 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

The invention discloses a preparation method of 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, and belongs to the technical field of organic synthesis. The preparation method comprises the following steps: with 1,3-dimethylpyrazole as a raw material, carrying out halogenation to obtain 4-halogenated-1,3,5-tetrahydronaphthalene; carrying out a reaction under the conditions of a bromination reagent and AIBN and hydrolysis with hexamethylenetetramine to obtain 4-halogen-1-methyl-1H-pyrazole-3-formaldehyde, then performing a reaction with a fluorination reagent to obtain 4-halogen-3-difluoromethyl-1-methylpyrazole; finally carrying out a reaction on the 4-halogen-3-difluoromethyl-1-methylpyrazole and a Grignard reagent to obtain 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester. The method is simple and convenient to operate and high in reaction yield, the purity of the obtained product can reach 99.5% or above, and the method has a potential process amplification prospect.

BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY

The present invention provides compounds and compositions thereof which are useful as inhibitors of Bruton's tyrosine kinase and which exhibit desirable characteristics for the same.