4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylic acid

Base Information

Chemical Name:4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylic acid
CAS No.:130874-34-9
Molecular Formula:C₁₀H₇BrN₂O₄S
Molecular Weight:331.147
Hs Code.:
DSSTox Substance ID:DTXSID201200249

Synonyms:DTXSID201200249;130874-34-9;4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylic acid;InChI=1/C10H7BrN2O4S/c11-8-6-12-13(9(8)10(14)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H,14,15

Suppliers and Price of 4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylic acid

Supply Marketing:

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

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Chemical Property of 4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylic acid

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:329.93099
Heavy Atom Count:18
Complexity:416

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylic acid

There total 2 articles about 4-Bromo-1-(phenylsulfonyl)-1H-pyrazole-5-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:

: 98-09-9
benzenesulfonyl chloride

: 130874-34-9
4-bromo-1-phenylsulphonylpyrazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / pyridine / 2 h / Heating

2: 1) 2 M phenyl-lithium / 1) benzene, diethyl ether, -78 to 0 deg C, 2 h, 2a) -78 deg C, 30 min, 2b) -78 deg C to rt, 1.5 h

With pyridine; phenyllithium;

Reference yield:

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

: 121358-73-4
4-bromo-1-phenylsulphonylpyrazole

: 130874-34-9
4-bromo-1-phenylsulphonylpyrazole-5-carboxylic acid

Guidance literature:: With phenyllithium; Yield given. Multistep reaction; 1) benzene, diethyl ether, -78 to 0 deg C, 2 h, 2a) -78 deg C, 30 min, 2b) -78 deg C to rt, 1.5 h;