2,6,6-Trimethyl-3-oxocyclohexene-1-carboxylic acid

Base Information

Chemical Name:2,6,6-Trimethyl-3-oxocyclohexene-1-carboxylic acid
CAS No.:51823-74-6
Molecular Formula:C10H14O3
Molecular Weight:182.219
Hs Code.:
DSSTox Substance ID:DTXSID50572181
Wikidata:Q82460466
Mol file:51823-74-6.mol

Synonyms:2,6,6-trimethyl-3-oxocyclohexene-1-carboxylic acid;51823-74-6;Compound NP-024012;2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxylic acid;SCHEMBL11394565;DTXSID50572181;NCJFEURQKCATER-UHFFFAOYSA-N;AKOS040737327;2,6,6-Trimethyl-3-oxocyclohex-1-ene-1-carboxylic acid;2,6,6-trimethylcyclohex-1-en-3-one-1-carboxylic acid

Suppliers and Price of 2,6,6-Trimethyl-3-oxocyclohexene-1-carboxylic acid

Supply Marketing:

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

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Chemical Property of 2,6,6-Trimethyl-3-oxocyclohexene-1-carboxylic acid

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:182.094294304
Heavy Atom Count:13
Complexity:297

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1=O)(C)C)C(=O)O

Technology Process of 2,6,6-Trimethyl-3-oxocyclohexene-1-carboxylic acid

There total 8 articles about 2,6,6-Trimethyl-3-oxocyclohexene-1-carboxylic acid 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%

: 18378-66-0
4-oxo-β-cyclocitral

: 51823-74-6
2,6,6-trimethyl-3-oxo-cyclohex-1-enecarboxylic acid

Guidance literature:: With air; In tetrachloromethane; at 0 ℃; for 336h;
DOI:10.1021/jo00205a014

Reference yield: 19.0%

: 60078-92-4,14393-38-5
2,4,4-trimethyl-3-formyl-2-cyclohexen-1-ol

: 51823-74-6
2,6,6-trimethyl-3-oxo-cyclohex-1-enecarboxylic acid

: 18378-66-0
4-oxo-β-cyclocitral

Guidance literature:: With jones reagent; In acetone; at 5 ℃; for 1h;
DOI:10.1021/jo00337a056

Reference yield:

: 60078-92-4,14393-38-5
2,4,4-trimethyl-3-formyl-2-cyclohexen-1-ol

: 51823-74-6
2,6,6-trimethyl-3-oxo-cyclohex-1-enecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 62.0 g / Jones reagent / acetone / 1 h / 5 °C

2: 86 percent / Ag₂O, 10percent NaOH / 1 h / T < 30 deg C

With sodium hydroxide; jones reagent; silver(l) oxide; In acetone;
DOI:10.1021/jo00337a056