4-(4-Chlorophenyl)-2-methyl-4-oxobutanoate

Base Information

Chemical Name:4-(4-Chlorophenyl)-2-methyl-4-oxobutanoate
CAS No.:52240-20-7
Molecular Formula:C11H11 Cl O3
Molecular Weight:226.66
Hs Code.:2918300090
DSSTox Substance ID:DTXSID90966621
Wikidata:Q82949039
Mol file:52240-20-7.mol

Synonyms:DTXSID90966621;4-(4-chlorophenyl)-2-methyl-4-oxobutanoate

Suppliers and Price of 4-(4-Chlorophenyl)-2-methyl-4-oxobutanoate

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
4-(4-Chlorophenyl)-2-methyl-4-oxobutanoicAcid
50mg
$ 90.00

American Custom Chemicals Corporation
3-(P-CHLOROBENZOYL)-2-METHYL PROPIONIC ACID 95.00%
5MG
$ 497.95

AK Scientific
4-(4-Chlorophenyl)-2-methyl-4-oxobutanoicacid
10g
$ 1337.00

AK Scientific
4-(4-Chlorophenyl)-2-methyl-4-oxobutanoicacid
5g
$ 934.00

AHH
3-(p-Chlorobenzoyl)-2-methylpropionicacid 98%
5g
$ 405.00

Total 8 raw suppliers

Chemical Property of 4-(4-Chlorophenyl)-2-methyl-4-oxobutanoate

Chemical Property:

Vapor Pressure:2.24E-07mmHg at 25°C
Melting Point:137-139 °C
Refractive Index:1.4530 (estimate)
Boiling Point:407.6°Cat760mmHg
Flash Point:200.3°C
PSA：54.37000
Density:g/cm³
LogP:2.63350
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:225.0318469
Heavy Atom Count:15
Complexity:239

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Chlorophenyl)-2-methyl-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)[O-]
Isomeric SMILES:C[C@@H](CC(=O)C1=CC=C(C=C1)Cl)C(=O)[O-]

Technology Process of 4-(4-Chlorophenyl)-2-methyl-4-oxobutanoate

There total 6 articles about 4-(4-Chlorophenyl)-2-methyl-4-oxobutanoate 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: 89.0%

: 58182-59-5
3-(4-chlorobenzoyl)-2-methylenepropionic acid

: 52240-20-7
3-(4-chlorobenzoyl)-2-methylpropionic acid

Guidance literature:: With hydrogen; palladium diacetate; zinc trifluoromethanesulfonate; 1,4-di(diphenylphosphino)-butane; In 1,2-dichloro-ethane; at 60 ℃; for 32h; under 750.075 Torr; chemoselective reaction; Autoclave;
DOI:10.1039/c9ob00005d

Reference yield: 79.0%

: 80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7
methacrylic acid methyl ester

: 33599-26-7
α-(4-Chlorophenyl)-4-morpholineacetonitrile

: 52240-20-7
3-(4-chlorobenzoyl)-2-methylpropionic acid

Guidance literature:: α-(4-Chlorophenyl)-4-morpholineacetonitrile; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

methacrylic acid methyl ester; In N,N-dimethyl-formamide; at 0 - 20 ℃;