4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid

Base Information

Chemical Name:4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid
CAS No.:85633-96-1
Molecular Formula:C11H10ClNO5
Molecular Weight:271.657
Hs Code.:2918300090
DSSTox Substance ID:DTXSID601225443
ChEMBL ID:CHEMBL1568886
Mol file:85633-96-1.mol

Synonyms:85633-96-1;4-(4-chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid;CBMicro_035758;Oprea1_627449;Oprea1_806631;MLS000773578;SCHEMBL2002281;CHEMBL1568886;ZDGKTISONWFCDF-UHFFFAOYSA-N;DTXSID601225443;HMS2725L19;MFCD02211210;STK966418;AKOS001012232;AKOS022184495;SMR000364296;3-(4-chloro-3-nitrobenzoyl)-butyric acid;BIM-0035830.P001;CS-0275744;SR-01000222550;SR-01000222550-1;Z56788140;4-(4-chloro-3-nitrophenyl)-3-methyl-4-oxobutanoicacid;4-(4-Chloro-3-nitro-phenyl)-3-methyl-4-oxo-butyric acid;4-Chloro-beta-methyl-3-nitro-gamma-oxobenzenebutanoic acid

Suppliers and Price of 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic 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

Crysdot
4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoicacid 95+%
1g
$ 490.00

ChemBridge Corporation
4-(4-chloro-3-nitrophenyl)-3-methyl-4-oxobutanoicacid 95%
250 mg
$ 64.00

American Custom Chemicals Corporation
4-(4-CHLORO-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOIC ACID 95.00%
5G
$ 1334.03

American Custom Chemicals Corporation
4-(4-CHLORO-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOIC ACID 95.00%
1G
$ 764.03

Total 11 raw suppliers

Chemical Property of 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid

Chemical Property:

Vapor Pressure:8.78E-09mmHg at 25°C
Boiling Point:447.2°C at 760 mmHg
PKA:4.23±0.19(Predicted)
Flash Point:224.3°C
PSA：100.19000
Density:1.435g/cm³
LogP:3.06490
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:271.0247501
Heavy Atom Count:18
Complexity:354

Purity/Quality:

99.9% ^*data from raw suppliers

4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Uses 4-(4-chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid is a useful research chemical.

Technology Process of 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid

There total 3 articles about 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic 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: 98.0%

: 52240-25-2
4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

: 85633-96-1
3-methyl-4-oxo-4-(3'-nitro-4'-chloro-phenyl)-butyric acid

Guidance literature:: With nitric acid; at -15 - -10 ℃; for 0.5h;
DOI:10.1016/0223-5234(93)90005-Y

Reference yield:

: 104-88-1
4-chlorobenzaldehyde

: 85633-96-1
3-methyl-4-oxo-4-(3'-nitro-4'-chloro-phenyl)-butyric acid

Guidance literature:: Multi-step reaction with 3 steps

1: sodium cyanide / dimethylformamide / 2 h / 40 °C

2: 54.6 percent / conc. HCl, water / Heating

3: 98 percent / nitric acid / 0.5 h / -15 - -10 °C

With hydrogenchloride; sodium cyanide; water; nitric acid; In N,N-dimethyl-formamide;
DOI:10.1016/0223-5234(93)90005-Y

Reference yield:

: 53012-96-7
4-(4-chlorophenyl)-3-methyl-4-oxobutyronitrile

: 85633-96-1
3-methyl-4-oxo-4-(3'-nitro-4'-chloro-phenyl)-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 54.6 percent / conc. HCl, water / Heating

2: 98 percent / nitric acid / 0.5 h / -15 - -10 °C

With hydrogenchloride; water; nitric acid;
DOI:10.1016/0223-5234(93)90005-Y