3-Hydroxy-4,4-dimethylcyclohex-2-en-1-one

Base Information

Chemical Name:3-Hydroxy-4,4-dimethylcyclohex-2-en-1-one
CAS No.:53696-32-5
Molecular Formula:C8H12O2
Molecular Weight:140.182
Hs Code.:
DSSTox Substance ID:DTXSID80535527
Nikkaji Number:J819.486F
Wikidata:Q82409855

Synonyms:3-hydroxy-4,4-dimethylcyclohex-2-en-1-one;53696-32-5;SCHEMBL15426909;DTXSID80535527;3-hydroxy-6,6-dimethylcyclohex-2-enone

Suppliers and Price of 3-Hydroxy-4,4-dimethylcyclohex-2-en-1-one

Supply Marketing:

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

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Chemical Property of 3-Hydroxy-4,4-dimethylcyclohex-2-en-1-one

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:140.083729621
Heavy Atom Count:10
Complexity:189

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC(=O)C=C1O)C

Technology Process of 3-Hydroxy-4,4-dimethylcyclohex-2-en-1-one

There total 3 articles about 3-Hydroxy-4,4-dimethylcyclohex-2-en-1-one 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: 80.0%

: 563-80-4
3-methyl-butan-2-one

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

: 53696-32-5
3-hydroxy-6,6-dimethylcyclohex-2-en-1-one

Guidance literature:: With methanol; sodium methylate; In xylene; for 3h; Heating;

Reference yield: 75.0%

: 1609011-31-5
3-amino-6,6-dimethylcyclohex-2-en-1-one potassium salt

: 53696-32-5
3-hydroxy-6,6-dimethylcyclohex-2-en-1-one

Guidance literature:: With hydrogenchloride; water; In ethanol; Reflux;
DOI:10.1002/jhet.2048

Reference yield:

: 2034-43-7
4,4-dimethyl-5-oxohexane-nitrile

: 53696-32-5
3-hydroxy-6,6-dimethylcyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / 2.25 h / Inert atmosphere; Reflux

2: hydrogenchloride; water / ethanol / Reflux

With hydrogenchloride; potassium tert-butylate; water; In tetrahydrofuran; ethanol;
DOI:10.1002/jhet.2048