1-Ethyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1-Ethyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 400858-54-0
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.14000
• Hs Code.: 2933199090
• European Community (EC) Number: 846-333-2
• DSSTox Substance ID: DTXSID50356766
• Wikidata: Q82136332
• Mol file: 400858-54-0.mol

Synonyms:1-Ethyl-1H-pyrazole-4-carboxylic acid;400858-54-0;1-ethylpyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid, 1-ethyl-;MFCD02090883;SCHEMBL553834;1-ethylpyrazole-4-carboxylicacid;DTXSID50356766;BXXOXFNLGLMZSO-UHFFFAOYSA-N;HMS1618B13;( S)-N-Methyl-1-phenylethanamine;BBL015059;STK299905;AKOS000304102;SB22923;1-ethyl-1 h-pyrazole-4-carboxylic acid;BAS 03395082;DS-17215;SY014178;AM20100062;CS-0054997;FT-0734022;1H-Pyrazole-4-carboxylicacid,1-ethyl-(9CI);EN300-77507;1-Ethyl-1H-pyrazole-4-carboxylic acid, AldrichCPR;F2169-0802;Z275170094

Chemical Property of 1-Ethyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000315mmHg at 25°C
• Boiling Point: 307.4oC at 760 mmHg
• Flash Point: 139.7oC
• PSA: 55.12000
• Density: 1.27g/cm3
• LogP: 0.60120
• Storage Temp.: Room temperature.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

1-Ethyl-1H-pyrazole-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C=N1)C(=O)O

Technology Process of 1-Ethyl-1H-pyrazole-4-carboxylic acid

There total 1 articles about 1-Ethyl-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: 80.0%

1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester (447401-91-4) → 1-ethyl-1H-pyrazole-4-carboxylic acid (400858-54-0)

Guidance literature:

1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester; With sodium hydroxide; In methanol; for 2h; Reflux;

With hydrogenchloride; In methanol; water; pH=Ca.2;

Reference yield: 68.0%

1-ethyl-1H-pyrazole-4-carboxylic acid (400858-54-0) + 3-(4-chloro-2-methylphenyl)piperidine hydrochloride → 3-(4-chloro-2-methylphenyl)-1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]piperidine

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In dichloromethane; ethyl acetate; at 20 - 25 ℃; for 18h;

Reference yield:

1-ethyl-1H-pyrazole-4-carboxylic acid (400858-54-0) → (1-ethyl-1H-pyrazole-4-yl)methanol (905307-04-2)

Guidance literature:

1-ethyl-1H-pyrazole-4-carboxylic acid; With borane-THF; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran;

With sodium hydrogencarbonate; In tetrahydrofuran; water;

upstream raw materials:

1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester

Downstream raw materials:

(1-ethyl-1H-pyrazole-4-yl)methanol

1-ethyl-1H-pyrazole-4-carboxylic acid chloride

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