4-bromo-1,3-dimethyl-1H-pyrazole

Base Information

• Chemical Name: 4-bromo-1,3-dimethyl-1H-pyrazole
• CAS No.: 5775-82-6
• Molecular Formula: C5H7BrN2
• Molecular Weight: 175.028
• Hs Code.: 2933199090
• European Community (EC) Number: 962-719-4
• DSSTox Substance ID: DTXSID30504420
• Wikidata: Q82358907
• Mol file: 5775-82-6.mol

Synonyms:4-bromo-1,3-dimethyl-1H-pyrazole;5775-82-6;4-bromo-1,3-dimethylpyrazole;1H-Pyrazole, 4-bromo-1,3-dimethyl-;MFCD00985488;SCHEMBL671995;DTXSID30504420;AKOS000309946;PB23204;AM804077;AS-39451;SY024636;4-Bromo-1,3-dimethyl-1H-pyrazole, 97%;BB 0253214;CS-0036020;FT-0748774;EN300-224904;A869596

Chemical Property of 4-bromo-1,3-dimethyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.281mmHg at 25°C
• Refractive Index: 1.5214 (estimate)
• Boiling Point: 210.265oC at 760 mmHg
• PKA: 0.68±0.10(Predicted)
• Flash Point: 80.966oC
• PSA: 17.82000
• Density: 1.584g/cm3
• LogP: 1.49100
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.97926
• Heavy Atom Count: 8
• Complexity: 86.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-1,3-dimethylpyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1Br)C

Technology Process of 4-bromo-1,3-dimethyl-1H-pyrazole

There total 10 articles about 4-bromo-1,3-dimethyl-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1,3-dimethyl-1H-pyrazole (694-48-4) → 4-bromo-1,3-dimethyl-1H-pyrazole (5775-82-6)

Guidance literature:

With bromine; In ethanol; at 5 - 10 ℃; for 4h;

Reference yield: 90.0%

1,3-dimethyl-1H-pyrazole-4-carbaldehyde (25016-12-0) → 4-bromo-1,3-dimethyl-1H-pyrazole (5775-82-6)

Guidance literature:

With bromine; In acetic acid; at 20 - 100 ℃;

DOI:10.1134/S1070428007110292

Reference yield: 80.0%

1,3-dimethyl-1H-pyrazole-4-carboxylic acid (78703-53-4) → 4-bromo-1,3-dimethyl-1H-pyrazole (5775-82-6)

Guidance literature:

With sodium hydroxide; bromine; In water; at 20 ℃; for 1h;

DOI:10.1134/S1070363207020193

upstream raw materials:

1,3-dimethyl-1H-pyrazole

4-bromo-3-methyl-1H-pyrazole

sodium methylate

methyl iodide

Downstream raw materials:

ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole

N²-(4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N⁸-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine

N-(4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)formamide

Refernces

• 1、 Attaryan,Akopyan,Badalyan,Minasyan,Asratyan. "Bromination of 1,3-dimethyl- and 1,5-dimethyl-1H-pyrazole-4-carbaldehydes". . p. 1821 - 1822. Retrieved 2007.
• 2、 Baltayan,Rstakyan,Antanosyan,Akopyan,Attaryan,Asratyan. "Bromination of 1,3-dimethyl- and 1,5-dimethyl-4-hydroxymethylpyrazoles". . p. 874 - 875. Retrieved 2009.
• 3、 -. "BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY". Paragraph 0296. . Retrieved 2015/06/25.