5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

Base Information

Chemical Name:5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid
CAS No.:116344-33-3
Molecular Formula:C12H12N2O2
Molecular Weight:216.239
Hs Code.:
European Community (EC) Number:817-224-7
DSSTox Substance ID:DTXSID601205784
Mol file:116344-33-3.mol

Synonyms:5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid;116344-33-3;SCHEMBL22534352;DTXSID601205784;MFCD24489422;AKOS022652093;5-benzyl-1-methylpyrazole-4-carboxylic acid;EN300-181005;F96724;5-benzyl-1-methyl-1H-pyrazole-4-carboxylicacid;Z1508990529;1-Methyl-5-(phenylmethyl)-1H-pyrazole-4-carboxylic acid

Suppliers and Price of 5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.089877630
Heavy Atom Count:16
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C(=C(C=N1)C(=O)O)CC2=CC=CC=C2

Technology Process of 5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

There total 3 articles about 5-benzyl-1-methyl-1H-pyrazole-4-carboxylic 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: 92.0%

: 80326-72-3
methyl 1-methyl-5-(phenylmethyl)-1H-pyrazole-4-carboxylate

: 116344-33-3
5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1002/jhet.5570240634

Reference yield:

: 37779-49-0
methyl 3-oxo-4-phenylbutanoate

: 116344-33-3
5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 74 percent / 1 h / Ambient temperature

2: 89 percent / methanol / 1) 0 deg C, 15 min.; 2) room temp., 1 h

3: 92 percent / KOH / ethanol / 5 h / Heating

With potassium hydroxide; In methanol; ethanol;
DOI:10.1002/jhet.5570240634

Reference yield:

: 116344-11-7
methyl 2-((dimethylamino)methylene)-3-oxo-4-phenylbutanoate

: 116344-33-3
5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / methanol / 1) 0 deg C, 15 min.; 2) room temp., 1 h

2: 92 percent / KOH / ethanol / 5 h / Heating

With potassium hydroxide; In methanol; ethanol;
DOI:10.1002/jhet.5570240634