2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-

Base Information

Chemical Name:2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-
CAS No.:106281-44-1
Molecular Formula:C9H12O3
Molecular Weight:168.192
Hs Code.:
DSSTox Substance ID:DTXSID90451204
Nikkaji Number:J904.218K

Synonyms:2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-;106281-44-1;SCHEMBL10824824;DTXSID90451204;2-(Acetoxymethyl)-2-cyclohexene-1-one

Suppliers and Price of 2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-

Supply Marketing:

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

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Chemical Property of 2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.078644241
Heavy Atom Count:12
Complexity:228

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1=CCCCC1=O

Technology Process of 2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-

There total 2 articles about 2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]- 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: 86.0%

: 108-24-7
acetic anhydride

: 105956-40-9
2-(hydroxymethyl)cyclohex-2-en-1-one

: 106281-44-1
(6-oxocyclohex-1-en-1-yl)methyl acetate

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1246/cl.2001.546

Reference yield:

: 930-68-7
cyclohexenone

: 106281-44-1
(6-oxocyclohex-1-en-1-yl)methyl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: barium(II) hydroxide / methanol; water; 1-methyl-pyrrolidin-2-one / 4 h / 29 °C / Inert atmosphere

2: triethylamine / dichloromethane / 6 h / 30 °C / Inert atmosphere

With triethylamine; barium(II) hydroxide; In 1-methyl-pyrrolidin-2-one; methanol; dichloromethane; water; 1: |Baylis-Hillman Reaction;
DOI:10.1021/jo400634c

Reference yield: 99.0%

: 106281-44-1
(6-oxocyclohex-1-en-1-yl)methyl acetate

: 354578-83-9
(6-hydroxycyclohex-1-en-1-yl)methyl acetate

Guidance literature:: With sodium tetrahydroborate; cerium(III) chloride heptahydrate; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/jo400634c