Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester

Base Information

Chemical Name:Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester
CAS No.:823214-63-7
Molecular Formula:C15H19ClO4
Molecular Weight:298.766
Hs Code.:
DSSTox Substance ID:DTXSID20460309
Nikkaji Number:J2.167.843K

Synonyms:823214-63-7;Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester;DTXSID20460309

Suppliers and Price of Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester

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

Total 1 raw suppliers

Chemical Property of Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:298.0971868
Heavy Atom Count:20
Complexity:340

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)C(C)(C)C)OC1=CC=C(C=C1)Cl

Technology Process of Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester

There total 2 articles about Pentanoic acid, 2-(4-chlorophenoxy)-4,4-dimethyl-3-oxo-, ethyl ester 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%

: 29509-07-7
2-chloro-4,4-dimethyl-3-oxopentanoic acid ethyl ester

: 1193-00-6
sodium 4-chlorophenolate

: 823214-63-7
ethyl 2-(4-chlorophenoxy)-3-oxo-4,4-dimethylpentanoate

Guidance literature:: In toluene; at 80 ℃; for 3h;
DOI:10.1016/j.ejmech.2004.09.018

Reference yield:

: 17094-34-7
ethyl pivaloylacetate

: 823214-63-7
ethyl 2-(4-chlorophenoxy)-3-oxo-4,4-dimethylpentanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 98 percent / SO₂Cl₂ / 1 h / 20 °C

2: 65 percent / toluene / 3 h / 80 °C

With sulfuryl dichloride; In toluene;
DOI:10.1016/j.ejmech.2004.09.018