2-phenyl-2-(1H-pyrazol-1-yl)acetic acid

Base Information

Chemical Name:2-phenyl-2-(1H-pyrazol-1-yl)acetic acid
CAS No.:87581-64-4
Molecular Formula:C₁₁H₁₀N₂O₂
Molecular Weight:202.213
Hs Code.:
European Community (EC) Number:958-143-8

Synonyms:2-phenyl-2-(1H-pyrazol-1-yl)acetic acid;87581-64-4;2-phenyl-2-pyrazol-1-ylacetic acid;SCHEMBL5134511;AKOS000166083;AKOS022478068;2-phenyl-2-(1H-pyrazol-1-yl)aceticacid;KS-10464;CS-0251782;EN300-56070;Z285571582

Suppliers and Price of 2-phenyl-2-(1H-pyrazol-1-yl)acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 4 raw suppliers

Chemical Property of 2-phenyl-2-(1H-pyrazol-1-yl)acetic acid

Chemical Property:

XLogP3:1.6
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:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-phenyl-2-(1H-pyrazol-1-yl)acetic acid

There total 3 articles about 2-phenyl-2-(1H-pyrazol-1-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: 29.0%

: 10199-67-4
1-benzylpyrazole

: 124-38-9,18923-20-1
carbon dioxide

: 87581-74-6
1-benzyl-1H-pyrazole-5-carboxylic acid

: 87581-64-4
α-(1-pyrazolyl)phenylacetic acid

Guidance literature:: 1-benzylpyrazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at -78 ℃; for 1h;

Reference yield:

: 100-39-0
benzyl bromide

: 87581-74-6
1-benzyl-1H-pyrazole-5-carboxylic acid

: 87581-64-4
α-(1-pyrazolyl)phenylacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium hydroxide; potassium carbonate; tetrabutylammomium bromide / 5,5-dimethyl-1,3-cyclohexadiene / 16 h / 23 °C

2.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

2.2: 1 h / -78 °C

With n-butyllithium; tetrabutylammomium bromide; potassium carbonate; potassium hydroxide; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield:

: 10199-67-4
1-benzylpyrazole

: 124-38-9,18923-20-1
carbon dioxide

: 87581-64-4
α-(1-pyrazolyl)phenylacetic acid

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1) THF, -78 deg C 2 h; 2) -78 deg C, 23 deg C 7.5 h;
DOI:10.1016/S0040-4020(01)91920-9