Ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

Base Information

Chemical Name:Ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate
CAS No.:138907-76-3
Molecular Formula:C12H11BrN2O2
Molecular Weight:295.136
Hs Code.:2933199090
DSSTox Substance ID:DTXSID30566689
Wikidata:Q82452424
Mol file:138907-76-3.mol

Synonyms:ETHYL 1-(4-BROMOPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE;138907-76-3;ethyl 1-(4-bromophenyl)pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-, ethyl ester;SCHEMBL24303776;DTXSID30566689;AKOS015902164;ETHYL1-(4-BROMOPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE

Suppliers and Price of Ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

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
Packaging
price

Crysdot
Ethyl1-(4-bromophenyl)-1H-pyrazole-4-carboxylate 95+%
5g
$ 671.00

Chemenu
Ethyl1-(4-bromophenyl)-1H-pyrazole-4-carboxylate 95%
5g
$ 634.00

Alichem
Ethyl1-(4-bromophenyl)-1H-pyrazole-4-carboxylate
1g
$ 400.00

Total 6 raw suppliers

Chemical Property of Ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

Chemical Property:

Melting Point:133-134℃
Boiling Point:371.7±22.0 °C(Predicted)
PKA:-2.78±0.10(Predicted)
PSA：44.12000
Density:1.47±0.1 g/cm3(Predicted)
LogP:2.81150
Storage Temp.:2-8°C
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:294.00039
Heavy Atom Count:17
Complexity:267

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl1-(4-bromophenyl)-1H-pyrazole-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)Br

Technology Process of Ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

There total 8 articles about Ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate 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: 70.0%

: 33604-66-9
(4-bromophenyl)azo 4-methylphenyl sulfone

: ethyl 2-((tert-butoxycarbonyloxy)methyl)acrylate

: 138907-76-3
ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

Guidance literature:: With tributylphosphine; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1021/ol503735c

Reference yield:

: 37622-90-5
4-ethoxycarbonylpyrazole

: 589-87-7
1,4-bromoiodobenzene

: 138907-76-3
ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

Guidance literature:: With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 90 ℃;

Reference yield:

: 622-88-8,41931-18-4
4-bromophenylhydrazine hydrochloride

: 138907-76-3
ethyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium acetate / ethanol / 0.33 h / Reflux

1.2: 1 h / Reflux

2.1: tert.-butylnitrite / tetrahydrofuran / 2 h / Reflux

With tert.-butylnitrite; sodium acetate; In tetrahydrofuran; ethanol;
DOI:10.2174/1570178617999200728215322