3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid

Base Information

Chemical Name:3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid
CAS No.:60297-63-4
Molecular Formula:C11H10N2O3
Molecular Weight:218.212
Hs Code.:2933199090
European Community (EC) Number:809-390-4
DSSTox Substance ID:DTXSID80354270
Wikidata:Q82132315
Mol file:60297-63-4.mol

Synonyms:60297-63-4;3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid;3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid;3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid;Oprea1_760250;Oprea1_848158;SCHEMBL2221283;DTXSID80354270;ZAHMVJOIEBCBPB-UHFFFAOYSA-N;BBL015272;STK347782;AKOS000112850;CCG-112523;VS-04878;BB 0221238;CS-0238314;FT-0754691;EN300-193045;3-methyl-1-(3-carboxyphenyl)-2-pyrazolin-5-one;SR-01000531814;SR-01000531814-1;3-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzoic acid;3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoicacid;3-(3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid, AldrichCPR

Suppliers and Price of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic 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
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoicAcid
50mg
$ 175.00

TRC
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoicAcid
5mg
$ 45.00

Matrix Scientific
3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid
1g
$ 378.00

Crysdot
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoicacid 97%
5g
$ 874.00

American Custom Chemicals Corporation
3-(3-METHYL-5-OXO-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZOIC ACID 95.00%
500MG
$ 768.08

AK Scientific
3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoicacid
1g
$ 853.00

Total 5 raw suppliers

Chemical Property of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid

Chemical Property:

PSA：69.97000
LogP:0.99800
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:218.06914219
Heavy Atom Count:16
Complexity:351

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=O)C1)C2=CC=CC(=C2)C(=O)O

Technology Process of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid

There total 4 articles about 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic 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: 74.0%

: 141-97-9
ethyl acetoacetate

: 38235-71-1
3-hydrazinobenzoic acid

: 60297-63-4
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

Guidance literature:: In acetic acid; Reflux;
DOI:10.1021/ol502410x

Reference yield:

: 38235-71-1
3-hydrazinobenzoic acid

: 60297-63-4
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

Guidance literature:

Reference yield:

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 60297-63-4
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite / -10 - -5 °C

1.2: -10 - -5 °C

2.1: acetic acid / 12 h / Reflux

With hydrogenchloride; acetic acid; sodium nitrite;
DOI:10.1016/j.chembiol.2010.03.006