Benzyl 2,2-dimethyl-3-oxopropanoate

Base Information

Chemical Name:Benzyl 2,2-dimethyl-3-oxopropanoate
CAS No.:97518-80-4
Molecular Formula:C12H14O3
Molecular Weight:206.241
Hs Code.:
European Community (EC) Number:827-791-2

Synonyms:Benzyl 2,2-dimethyl-3-oxopropanoate;97518-80-4;benzyl 2-formyl-2-methylpropanoate;SCHEMBL5001960;Propanoic acid, 2,2-dimethyl-3-oxo-, phenylmethyl ester;GHICDGZYOXICST-UHFFFAOYSA-N;Benzyl2,2-dimethyl-3-oxopropanoate;XDA51880;benzyl-2,2-dimethyl-3-oxopropanoate;MFCD28118636;AT13748;AS-78073;FT-0722834;EN300-187425;A935372;A1-02940;Z1889887980

Suppliers and Price of Benzyl 2,2-dimethyl-3-oxopropanoate

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

Matrix Scientific
Benzyl 2,2-dimethyl-3-oxopropanoate 95%
5g
$ 1616.00

A1 Biochem Labs
Benzyl2,2-dimethyl-3-oxopropanoate 95%
5 g
$ 950.00

Total 6 raw suppliers

Chemical Property of Benzyl 2,2-dimethyl-3-oxopropanoate

Chemical Property:

PSA：43.37000
LogP:1.95490
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:227

Purity/Quality:

99% ^*data from raw suppliers

Benzyl 2,2-dimethyl-3-oxopropanoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C=O)C(=O)OCC1=CC=CC=C1

Technology Process of Benzyl 2,2-dimethyl-3-oxopropanoate

There total 4 articles about Benzyl 2,2-dimethyl-3-oxopropanoate 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: 82.0%

: 17701-61-0
benzyl 2,2-dimethyl-3-hydroxypropanoic acid

: 97518-80-4
benzyl 2,2-dimethyl-3-oxopropanoate

Guidance literature:: benzyl 2,2-dimethyl-3-hydroxypropanoic acid; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; for 1h;

With triethylamine; In dichloromethane; at 20 ℃;
DOI:10.1016/j.tet.2013.12.012

Reference yield:

: 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid

: 97518-80-4
benzyl 2,2-dimethyl-3-oxopropanoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C

2.1: dimethyl sulfoxide; oxalyl dichloride / dichloromethane / 1 h

2.2: 20 °C

With oxalyl dichloride; potassium carbonate; dimethyl sulfoxide; In dichloromethane; N,N-dimethyl-formamide; 2.1: |Swern Oxidation;
DOI:10.1016/j.tet.2013.12.012

Reference yield:

: 14002-80-3
Methyl 2,2-dimethyl-3-hydroxypropionate

: 97518-80-4
benzyl 2,2-dimethyl-3-oxopropanoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium hydroxide; water / tetrahydrofuran; methanol / 1.5 h / 0 - 20 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C

3.1: dimethyl sulfoxide; oxalyl dichloride / dichloromethane / 1 h

3.2: 20 °C

With oxalyl dichloride; water; potassium carbonate; dimethyl sulfoxide; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; 3.1: |Swern Oxidation;
DOI:10.1016/j.tet.2013.12.012