1-Benzyl-1H-pyrazole-4-carboxylic acid

Base Information

Chemical Name:1-Benzyl-1H-pyrazole-4-carboxylic acid
CAS No.:401647-24-3
Molecular Formula:C11H10N2O2
Molecular Weight:202.213
Hs Code.:2933199090
European Community (EC) Number:800-584-4
DSSTox Substance ID:DTXSID80424341
Wikidata:Q82236870
Mol file:401647-24-3.mol

Synonyms:1-Benzyl-1H-pyrazole-4-carboxylic acid;401647-24-3;1-benzylpyrazole-4-carboxylic acid;MFCD05864591;SCHEMBL553830;DTXSID80424341;KGDOHXYALMXHLF-UHFFFAOYSA-N;1-Benzyl pyrazole 4-carboxylic acid;BBL016269;STK350146;AKOS000206940;AS-5724;BP-11209;AM20040405;BB 0240598;CS-0060527;FT-0677684;FT-0701350;EN300-14396;1-Benzyl-1H-pyrazole-4-carboxylic acid, AldrichCPR;Z104341182;W3U

Suppliers and Price of 1-Benzyl-1H-pyrazole-4-carboxylic acid

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

TRC
1-Benzyl-1H-pyrazole-4-carboxylic acid
100mg
$ 75.00

SynQuest Laboratories
1-Benzyl-1H-pyrazole-4-carboxylic acid
5 g
$ 535.00

SynQuest Laboratories
1-Benzyl-1H-pyrazole-4-carboxylic acid
1 g
$ 160.00

Sigma-Aldrich
1-Benzyl-1H-pyrazole-4-carboxylic acid
1g
$ 371.00

Matrix Scientific
1-Benzyl-1H-pyrazole-4-carboxylic acid
500mg
$ 57.00

Matrix Scientific
1-Benzyl-1H-pyrazole-4-carboxylic acid
1g
$ 94.00

Crysdot
1-Benzyl-1H-pyrazole-4-carboxylic acid 97%
5g
$ 366.00

CHESS?
CA001306:1-Benzyl-1H-pyrazole-4-carboxylicacid 97
1 g
$ 84.00

Chemenu
1-Benzyl-1H-pyrazole-4-carboxylic acid 95+%
5g
$ 498.00

Chemenu
1-Benzyl-1H-pyrazole-4-carboxylic acid 95+%
1g
$ 166.00

Total 21 raw suppliers

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

Chemical Property:

Vapor Pressure:5.26E-08mmHg at 25°C
Boiling Point:425.7oC at 760 mmHg
Flash Point:211.3oC
PSA：55.12000
Density:1.24g/cm3
LogP:1.62960
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:202.074227566
Heavy Atom Count:15
Complexity:227

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-1H-pyrazole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)O

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

There total 9 articles about 1-Benzyl-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: 94.0%

: 150559-94-7
ethyl 1‐benzyl‐1H‐pyrazole‐4‐carboxylate

: 401647-24-3
1-benzyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; water; at 20 - 70 ℃; for 16.5h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.9b00809

Reference yield:

: 861135-90-2
methyl 1-benzylpyrazole-4-carboxylate

: 401647-24-3
1-benzyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

: 100-39-0
benzyl bromide

: 401647-24-3
1-benzyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 16 h / 50 °C

2.1: water; lithium hydroxide monohydrate / methanol / 3 h / 20 °C

2.2: pH 3

With lithium hydroxide monohydrate; water; potassium carbonate; In methanol; acetone;