4-bromo-3-methyl-5-phenyl-1H-pyrazole

Base Information

• Chemical Name: 4-bromo-3-methyl-5-phenyl-1H-pyrazole
• CAS No.: 13808-66-7
• Molecular Formula: C10H9BrN2
• Molecular Weight: 237.099
• Hs Code.: 2933199090
• European Community (EC) Number: 662-767-3
• DSSTox Substance ID: DTXSID00353523
• Nikkaji Number: J2.482.866B
• Wikidata: Q82131169
• Mol file: 13808-66-7.mol

Synonyms:4-bromo-3-methyl-5-phenyl-1H-pyrazole;4-bromo-5-methyl-3-phenyl-1H-pyrazole;13808-66-7;CBDivE_008212;Cambridge id 5102471;SCHEMBL2374553;SCHEMBL16225421;DTXSID00353523;BBL029429;STL231815;AKOS015955500;AKOS022348781;3-Methyl-4-bromo-5-phenyl-1H-pyrazole;VS-09233;CS-0337496;4-Bromo-3-methyl-5-phenyl-1H-pyrazole 97%;4-Bromo-3-methyl-5-phenyl-1H-pyrazole, 97%

Chemical Property of 4-bromo-3-methyl-5-phenyl-1H-pyrazole

Chemical Property:

• Melting Point: 87-92°C
• PSA: 28.68000
• LogP: 3.14760
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 235.99491
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99.0% ^*data from raw suppliers

4-Bromo-5-methyl-3-phenyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=NN1)C2=CC=CC=C2)Br

Technology Process of 4-bromo-3-methyl-5-phenyl-1H-pyrazole

There total 9 articles about 4-bromo-3-methyl-5-phenyl-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: 95.0%

benzaldehyde (100-52-7) + acetone (67-64-1) → 4-bromo-5-methyl-3-phenyl-1H-pyrazole (13808-66-7)

Guidance literature:

benzaldehyde; acetone; With hydrazine hydrochloride; In methanol; at 55 ℃; for 0.666667h; Inert atmosphere;

With bromine; In methanol; at 0 - 15 ℃; for 0.5h; Inert atmosphere;

DOI:10.1055/s-0036-1591941

Reference yield: 91.0%

5-methyl-3-phenyl-1H-pyrazole (3347-62-4) → 4-bromo-5-methyl-3-phenyl-1H-pyrazole (13808-66-7)

Guidance literature:

With hydrogenchloride; bromine; In methanol; for 1h;

DOI:10.1016/j.tet.2007.06.007

Reference yield: 15.0%

4,4-Dibromo-3-methyl-5-phenyl-4H-pyrazole (84691-22-5) → 4-Bromo-5-methyl-1-nitro-3-phenyl-1H-pyrazole (84691-24-7) + 4-Bromo-3-methyl-1-nitro-5-phenyl-1H-pyrazole (84691-25-8) + 4-bromo-5-methyl-3-phenyl-1H-pyrazole (13808-66-7)

Guidance literature:

With silver nitrate; phosphorous acid trimethyl ester; In acetonitrile; Ambient temperature;

DOI:10.1055/s-1982-29967

upstream raw materials:

3-methyl-5-phenylpyrazole

5-methyl-3-phenyl-1H-pyrazole

3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

chloroform

Downstream raw materials:

3-methyl-5-phenylpyrazole

2-(((1s,4s)-4-((3-methyl-5-phenyl-4-m-tolyl-1H-pyrazol-1-yl)methyl)cyclohexyl)methoxy)acetic acid

2-(((1s,4s)-4-((3-(3-methoxyphenyl)-5-methyl-4-phenyl-1H-pyrazol-1-yl)methyl)cyclohexyl)methoxy)acetic acid

2-(((1s,4s)-4-((5-(3-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-1-yl)methyl)cyclohexyl)methoxy)acetic acid