(1-phenyl-1H-pyrazol-4-yl)acetic acid

Base Information

• Chemical Name: (1-phenyl-1H-pyrazol-4-yl)acetic acid
• CAS No.: 35715-77-6
• Molecular Formula: C11H10 N2 O2
• Molecular Weight: 202.21
• Hs Code.: 2933199090
• European Community (EC) Number: 823-819-2
• DSSTox Substance ID: DTXSID40585447
• Wikidata: Q82477417
• Mol file: 35715-77-6.mol

Synonyms:(1-phenyl-1H-pyrazol-4-yl)acetic acid;35715-77-6;2-(1-phenyl-1H-pyrazol-4-yl)acetic acid;2-(1-phenylpyrazol-4-yl)acetic acid;SCHEMBL3814933;DTXSID40585447;MFCD09040437;AKOS009116129;2-(1-phenyl-1H-pyrazol-4-yl)aceticacid;BS-14011;CS-0215639;EN300-26868;G44819;Z234986310

Chemical Property of (1-phenyl-1H-pyrazol-4-yl)acetic acid

Chemical Property:

• PSA: 55.12000
• LogP: 1.49940
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

2-(1-phenyl-1H-pyrazol-4-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)O

Technology Process of (1-phenyl-1H-pyrazol-4-yl)acetic acid

There total 6 articles about (1-phenyl-1H-pyrazol-4-yl)acetic acid 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%

(1-phenyl-1H-pyrazol-4-yl)-acetonitrile (51412-23-8) → (1-phenyl-1H-pyrazol-4-yl)-acetic acid (35715-77-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 10h; Heating;

DOI:10.1002/jhet.5570300427

Reference yield:

(1-phenyl-1H-pyrazol-4-yl)methanol (70817-26-4) → (1-phenyl-1H-pyrazol-4-yl)-acetic acid (35715-77-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 48percent hydrobromic acid, acetic acid / 15 h / Heating

2: dimethylsulfoxide / 0.17 h / Ambient temperature

3: 95 percent / aq. KOH / ethanol / 10 h / Heating

With potassium hydroxide; hydrogen bromide; acetic acid; In ethanol; dimethyl sulfoxide;

DOI:10.1002/jhet.5570300427

Reference yield:

ethyl 1-phenylpyrazole-4-carboxylate (885-94-9) → (1-phenyl-1H-pyrazol-4-yl)-acetic acid (35715-77-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 94 percent / LiAlH₄ / diethyl ether / 7 h / Heating

2: 48percent hydrobromic acid, acetic acid / 15 h / Heating

3: dimethylsulfoxide / 0.17 h / Ambient temperature

4: 95 percent / aq. KOH / ethanol / 10 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; hydrogen bromide; acetic acid; In diethyl ether; ethanol; dimethyl sulfoxide;

DOI:10.1002/jhet.5570300427

upstream raw materials:

(1-phenyl-1H-pyrazol-4-yl)-acetonitrile

(1-phenyl-1H-pyrazol-4-yl)methanol

ethyl 1-phenylpyrazole-4-carboxylate

phenylhydrazine