4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic acid

Base Information

Chemical Name:4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic acid
CAS No.:81265-59-0
Molecular Formula:C₁₇H₁₄N₂O₃
Molecular Weight:294.31
Hs Code.:
DSSTox Substance ID:DTXSID701001894
Wikidata:Q82995916
Mol file:81265-59-0.mol

Synonyms:81265-59-0;4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic acid;M.G. 18819;4-[4-(2H-Indazol-2-yl)phenyl]-4-oxobutanoic acid;Benzenebutanoic acid, 4-(2H-indazol-2-yl)-gamma-oxo-;4-(4-(2H-Indazol-2-yl)phenyl)-4-oxobutanoic acid;DTXSID701001894;LS-29350

Suppliers and Price of 4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic 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

American Custom Chemicals Corporation
4-(2H-INDAZOL-2-YL)-GAMMA-OXOBENZENEBUTANOIC ACID 95.00%
5MG
$ 502.16

Total 3 raw suppliers

Chemical Property of 4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic acid

Chemical Property:

Vapor Pressure:8.5E-09mmHg at 25°C
Boiling Point:447.6°C at 760 mmHg
Flash Point:224.5°C
PSA：72.19000
Density:1.29g/cm³
LogP:3.07300
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:294.10044231
Heavy Atom Count:22
Complexity:418

Purity/Quality:: 4-(2H-INDAZOL-2-YL)-GAMMA-OXOBENZENEBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)C(=O)CCC(=O)O

Technology Process of 4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic acid

There total 3 articles about 4-(2H-Indazol-2-yl)-gamma-oxobenzenebutanoic 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: 65.0%

: 4-(4-Indazol-2-yl-phenyl)-4-oxo-butyric acid methyl ester

: 81265-59-0
4-(4-Indazol-2-yl-phenyl)-4-oxo-butyric acid

Guidance literature:: With sodium hydroxide; In ethanol; water; for 12h; Heating;

Reference yield:

: 52240-85-4
4-(4-amino-phenyl)-4-oxo-butyric acid,methyl ester

: 81265-59-0
4-(4-Indazol-2-yl-phenyl)-4-oxo-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) triethyl phosphite / 1.) methanol, 4 h, reflux; 2.) 8 h, 150 deg C

2: 65 percent / NaOH / ethanol; H₂O / 12 h / Heating

With sodium hydroxide; triethyl phosphite; In ethanol; water;

Reference yield:

: 552-89-6
2-nitro-benzaldehyde

: 81265-59-0
4-(4-Indazol-2-yl-phenyl)-4-oxo-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) triethyl phosphite / 1.) methanol, 4 h, reflux; 2.) 8 h, 150 deg C

2: 65 percent / NaOH / ethanol; H₂O / 12 h / Heating

With sodium hydroxide; triethyl phosphite; In ethanol; water;