Propanoic acid, 2-methyl-3-phenoxy-, ethyl ester

Base Information

Chemical Name:Propanoic acid, 2-methyl-3-phenoxy-, ethyl ester
CAS No.:646064-56-4
Molecular Formula:C12H16O3
Molecular Weight:208.257
Hs Code.:
DSSTox Substance ID:DTXSID20457956

Synonyms:646064-56-4;Propanoic acid, 2-methyl-3-phenoxy-, ethyl ester;DTXSID20457956

Suppliers and Price of Propanoic acid, 2-methyl-3-phenoxy-, ethyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Propanoic acid, 2-methyl-3-phenoxy-, ethyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)COC1=CC=CC=C1

Technology Process of Propanoic acid, 2-methyl-3-phenoxy-, ethyl ester

There total 2 articles about Propanoic acid, 2-methyl-3-phenoxy-, 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: 92.0%

: 62680-47-1
ethyl 2-(phenoxymethyl)acrylate

: 646064-56-4
ethyl 2-methyl-3-phenoxypropanoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In acetonitrile;
DOI:10.1016/j.tet.2003.09.095

Reference yield:

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 1746-13-0
allyl phenyl ether

: 2364-59-2
γ-phenoxybutyric acid ethyl ester

: 646064-56-4
ethyl 2-methyl-3-phenoxypropanoate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-methyl-but-2-ene; hydrogen; 1,4-di(diphenylphosphino)-butane; In chloroform; at 140 ℃; for 36h; under 31029.7 Torr; Overall yield = 45 %; regioselective reaction; Schlenk technique; Inert atmosphere; Autoclave;
DOI:10.1021/acs.joc.6b00522