5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate

Base Information

Chemical Name:5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate
CAS No.:68197-30-8
Molecular Formula:C15H16O3
Molecular Weight:244.29
Hs Code.:
DSSTox Substance ID:DTXSID00498948
Wikidata:Q82349320

Synonyms:5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate;68197-30-8;SCHEMBL25440299;DTXSID00498948;3-benzoyloxy-5,5-dimethyl-2-cyclohexen-1-one

Suppliers and Price of 5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate

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 5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate

Chemical Property:

PSA：43.37000
LogP:3.11640
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:244.109944368
Heavy Atom Count:18
Complexity:373

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:CC1(CC(=CC(=O)C1)OC(=O)C2=CC=CC=C2)C

Technology Process of 5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate

There total 4 articles about 5,5-Dimethyl-3-oxocyclohex-1-en-1-yl benzoate 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: 95.0%

: 98-88-4
benzoyl chloride

: 126-81-8
dimedone

: 68197-30-8
5,5-dimethyl-3-oxocyclohex-1-en-1-yl benzoate

Guidance literature:: With pyridine; In 1,2-dichloro-ethane; at 20 ℃; for 12h; Inert atmosphere;
DOI:10.1016/j.bmcl.2018.05.026

Reference yield: 72.0%

: 126-81-8
dimedone

: 532-55-8
Benzoyl isothiocyanate

: 68197-30-8
5,5-dimethyl-3-oxocyclohex-1-en-1-yl benzoate

Guidance literature:: With potassium hydroxide; In ethanol; for 0.25h;
DOI:10.1023/B:RUJO.0000034955.48174.8f

Reference yield:

: 126-81-8
dimedone

: 65-85-0,8013-63-6
benzoic acid

: 68197-30-8
5,5-dimethyl-3-oxocyclohex-1-en-1-yl benzoate

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;
DOI:10.1002/ejoc.201000516