Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

Base Information

Chemical Name:Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate
CAS No.:130895-13-5
Molecular Formula:C10H14O3
Molecular Weight:182.219
Hs Code.:
DSSTox Substance ID:DTXSID70563536
Nikkaji Number:J1.317.816J
Wikidata:Q82447992

Synonyms:130895-13-5;Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate;DTXSID70563536

Suppliers and Price of Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

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 Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.094294304
Heavy Atom Count:13
Complexity:241

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:COC(=O)CCC1=CC(=O)CCC1

Technology Process of Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

There total 3 articles about Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate 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: 61.0%

: 56671-81-9
3-bromo-2-cyclohexen-1-one

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 130895-13-5
3-(3-oxocyclohex-1-enyl)propionic acid methyl ester

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 5h; Heating; other times;
DOI:10.1016/S0040-4039(00)97616-0

Reference yield:

: 61589-86-4
3-(3-hydroxy-propyl)cyclohex-2-en-1-one

: 130895-13-5
3-(3-oxocyclohex-1-enyl)propionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: CrO₃; H₂SO₄ / acetone / 0 °C

2: diethyl ether / 0 °C

With chromium(VI) oxide; sulfuric acid; In diethyl ether; acetone; 1: Oxidation / 2: Esterification;
DOI:10.1016/S0040-4039(00)00390-7 DOI:10.1016/S0040-4039(00)00396-8