1-Phenylethyl acetoacetate

Base Information

Chemical Name:1-Phenylethyl acetoacetate
CAS No.:40552-84-9
Deprecated CAS:134174-91-7
Molecular Formula:C12H14O3
Molecular Weight:206.241
Hs Code.:2918300090
European Community (EC) Number:254-973-3
DSSTox Substance ID:DTXSID30885807
Nikkaji Number:J332.448F
Mol file:40552-84-9.mol

Synonyms:1-Phenylethyl acetoacetate;1-PHENYLETHYL 3-OXOBUTANOATE;40552-84-9;alpha-Methylbenzyl acetoacetate;Butanoic acid, 3-oxo-, 1-phenylethyl ester;EINECS 254-973-3;alpha-Phenylacetessigester;SCHEMBL3320374;DTXSID30885807;(rac)-1-phenylethyl 3-oxobutanoate;3-Oxobutyric acid 1-phenylethyl ester;AKOS024323859;LS-46392

Suppliers and Price of 1-Phenylethyl acetoacetate

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
ALPHA-METHYL-BENZYL-3-OXOBUTYRATE 95.00%
10G
$ 1686.52

American Custom Chemicals Corporation
ALPHA-METHYL-BENZYL-3-OXOBUTYRATE 95.00%
5G
$ 1121.90

American Custom Chemicals Corporation
ALPHA-METHYL-BENZYL-3-OXOBUTYRATE 95.00%
1G
$ 685.82

Total 5 raw suppliers

Chemical Property of 1-Phenylethyl acetoacetate

Chemical Property:

Vapor Pressure:0.00263mmHg at 25°C
Boiling Point:286.5°Cat760mmHg
Flash Point:121.9°C
PSA：43.37000
Density:1.087g/cm³
LogP:2.26990
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:229

Purity/Quality:

98%Min ^*data from raw suppliers

ALPHA-METHYL-BENZYL-3-OXOBUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)OC(=O)CC(=O)C
Uses 1-Phenylethyl 3-Oxobutanoate is an intermediate for the synthesis of cis-Crotoxyphos (C818825), which is an insecticide.

Technology Process of 1-Phenylethyl acetoacetate

There total 9 articles about 1-Phenylethyl acetoacetate 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: 99.0%

: 98-85-1,13323-81-4
1-Phenylethanol

: 141-97-9
ethyl acetoacetate

: 40552-84-9
1-phenylethyl acetoacetate

Guidance literature:: With rhizopus niveus lipase; Pseudomonas sp. lipoprotein lipase; Candida antarctica lipase B immobilized on acrylic resin; Carica papaya protease; In toluene; at 40 ℃; for 48h; Enzymatic reaction;
DOI:10.1002/ejoc.201500676

Reference yield: 97.0%

: 98-85-1,13323-81-4
1-Phenylethanol

: 105-45-3
acetoacetic acid methyl ester

: 40552-84-9
1-phenylethyl acetoacetate

Guidance literature:: sulfated tin oxide; In ethyl acetate; toluene; Petroleum ether;

Reference yield: 94.0%

: 1694-31-1
tert-butyl acetoacetate

: 98-85-1,13323-81-4
1-Phenylethanol

: 40552-84-9
1-phenylethyl acetoacetate

Guidance literature:: With rhizopus niveus lipase; Pseudomonas sp. lipoprotein lipase; Candida antarctica lipase B immobilized on acrylic resin; Carica papaya protease; In toluene; at 40 ℃; for 48h; Enzymatic reaction;
DOI:10.1002/ejoc.201500676