Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-

Base Information

• Chemical Name: Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-
• CAS No.: 72899-91-3
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• Mol file: 72899-91-3.mol

Synonyms:4-(3-Methyl-pyrazol-1-yl)-benzoic acid;4-(3-methyl-1H-pyrazol-1-yl)benzoic acid;3-Methyl-1-phenylpyrazol-4'-carbonsaure;4-(3-methylpyrazol-1-yl)benzoic acid;

Chemical Property of Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-

Chemical Property:

• Melting Point: 247 - 248 °C (aq. ethanol)
• PSA: 55.12000
• LogP: 1.87890

Purity/Quality:

98%+ ^*data from raw suppliers

4-(3-methyl-1H-pyrazol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-

There total 5 articles about Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)- 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: 98.0%

4-(3-Methyl-1H-pyrazol-1-yl)benzoesaeure-methylester (72899-97-9) → 4-(3-Methyl-1H-pyrazol-1-yl)benzoesaeure (72899-91-3)

Guidance literature:

With hydrogenchloride; acetic acid; for 7h; Reflux;

DOI:10.1021/acs.jmedchem.8b00697

Reference yield: 87.0%

acetylacetaldehyde dimethyl acetal (5436-21-5) + 4-Hydrazinobenzoic acid (619-67-0) → 4-(3-Methyl-1H-pyrazol-1-yl)benzoesaeure (72899-91-3)

Guidance literature:

In benzonitrile; at 115 ℃; for 6h;

Reference yield:

methyl 4-flurobenzoate (403-33-8) → 4-(3-Methyl-1H-pyrazol-1-yl)benzoesaeure (72899-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; 1-methyl-pyrrolidin-2-one / 6 h / 120 °C

2: hydrogenchloride; acetic acid / 7 h / Reflux

With 1-methyl-pyrrolidin-2-one; hydrogenchloride; potassium carbonate; acetic acid;

DOI:10.1021/acs.jmedchem.8b00697

upstream raw materials:

acetylacetaldehyde dimethyl acetal

4-Hydrazinobenzoic acid

methyl 4-flurobenzoate

4-fluorobenzoyl chloride

Downstream raw materials:

4-(3-Methyl-1H-pyrazol-1-yl)benzoesaeure-methylester

4-(3-Methyl-1H-pyrazol-1-yl)benzoesaeure-ethylester

ethyl (1S,2R)-5,5-difluoro-2-({[4-(3-methyl-1H-pyrazol-1-yl)phenyl]carbonyl}amino)cyclohexanecarboxylate

N-[(1R,2S)-4,4-difluoro-2-{(4-(1H-imidazol-2-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl]-4-(3-methyl-1H-pyrazol-1-yl)benzamide hydrochloride

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