3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester

Base Information

Chemical Name:3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester
CAS No.:64847-20-7
Molecular Formula:C13H14N2O2
Molecular Weight:230.266
Hs Code.:
DSSTox Substance ID:DTXSID20453493
Nikkaji Number:J2.761.530I,J604.339I
Wikidata:Q82274642

Synonyms:64847-20-7;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate;SCHEMBL6852749;DTXSID20453493;3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester;4-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester

Suppliers and Price of 3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester

Supply Marketing:

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

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Chemical Property of 3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:230.105527694
Heavy Atom Count:17
Complexity:264

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)C

Technology Process of 3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester

There total 7 articles about 3-Phenyl-4-methyl-1H-pyrazole-5-carboxylic acid ethyl ester 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: 62.0%

: (1-phenyl-propylidene)-carbazic acid ethyl ester

: 95-92-1
oxalic acid diethyl ester

: 64847-20-7
ethyl 4-methyl-5-phenyl-1H-pyrazole-3-carboxylate

Guidance literature:: (1-phenyl-propylidene)-carbazic acid ethyl ester; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

oxalic acid diethyl ester; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 16h;

With toluene-4-sulfonic acid; In toluene; for 10h; Further stages.; Heating;
DOI:10.1016/j.tetlet.2007.03.093

Reference yield: 41.0%

: 3-diethylamino-6-ethoxycarbonyl-6a-methyl-3a-phenyl-3a,4-dihydro-6aH-pyrazolo<3,4-d>isothiazole 1,1-dioxide

: 64847-20-7
ethyl 4-methyl-5-phenyl-1H-pyrazole-3-carboxylate

Guidance literature:: Heating;

Reference yield:

: 93-55-0
1-phenyl-propan-1-one

: 64847-20-7
ethyl 4-methyl-5-phenyl-1H-pyrazole-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium ethanolate / ethanol / 0.17 h

1.2: 12 h / 0 - 20 °C

2.1: hydrazine / ethanol / 8 h / Reflux

With sodium ethanolate; hydrazine; In ethanol;
DOI:10.1021/acs.orglett.7b00335