1-Cyclohexene-1-propanoic acid, 6-oxo-, ethyl ester

Base Information

Chemical Name:1-Cyclohexene-1-propanoic acid, 6-oxo-, ethyl ester
CAS No.:99861-33-3
Molecular Formula:C11H16O3
Molecular Weight:196.246
Hs Code.:
DSSTox Substance ID:DTXSID30450852
Nikkaji Number:J1.956.306E
Wikidata:Q82270680

Synonyms:99861-33-3;1-Cyclohexene-1-propanoic acid, 6-oxo-, ethyl ester;SCHEMBL3505;DTXSID30450852;QMKHJNSLJHXJHJ-UHFFFAOYSA-N;FT-0735437;ethyl 3-(6-oxo-1-cyclohexen-1-yl)propanoate;ethyl 3-(6-oxocyclohex-1-en-1-yl)propanoate;3-(6-Oxo-1-cyclohexenyl)propanoic acid ethyl ester;3-(6-oxo-1-cyclohexenyl)-propionic acid ethyl ester

Suppliers and Price of 1-Cyclohexene-1-propanoic acid, 6-oxo-, ethyl ester

Supply Marketing:

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

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Chemical Property of 1-Cyclohexene-1-propanoic acid, 6-oxo-, ethyl ester

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:196.109944368
Heavy Atom Count:14
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCC1=CCCCC1=O

Technology Process of 1-Cyclohexene-1-propanoic acid, 6-oxo-, ethyl ester

There total 7 articles about 1-Cyclohexene-1-propanoic acid, 6-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: 82.0%

: 930-68-7
cyclohexenone

: 140-88-5,9003-32-1
ethyl acrylate

: 99861-33-3
3-(6-Oxocyclohex-1-enyl) propanoate d'ethyle

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In various solvent(s); at 185 ℃; for 24h; Product distribution; var. bases; var. solvents; var. enones; var. Michael acceptors;
DOI:10.1016/S0040-4039(00)79017-4

Reference yield: 65.0%

: 154911-44-1
3-(1-Methylsulfinyl-2-oxocyclohexane)yl propanoate d'ethyle

: 99861-33-3
3-(6-Oxocyclohex-1-enyl) propanoate d'ethyle

Guidance literature:: With phosphorous acid trimethyl ester; In toluene; for 15h; Heating;

Reference yield:

: 52190-35-9
2-(methylthio)cyclohexanone

: 99861-33-3
3-(6-Oxocyclohex-1-enyl) propanoate d'ethyle

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) THF, rt, 1.5 h, 2.) THF, -20 deg C, 1 h

2: NaIO₄ / H₂O; methanol

3: 65 percent / trimethylphosphite / toluene / 15 h / Heating

With sodium periodate; sodium hydride; phosphorous acid trimethyl ester; In methanol; water; toluene;