6,6-Dimethylcyclohexa-2,4-dien-1-one

Base Information

Chemical Name:6,6-Dimethylcyclohexa-2,4-dien-1-one
CAS No.:21428-63-7
Molecular Formula:C8H10O
Molecular Weight:122.167
Hs Code.:
DSSTox Substance ID:DTXSID20499452
Nikkaji Number:J3.526.909F
Wikidata:Q82350233
Mol file:21428-63-7.mol

Synonyms:6,6-Dimethylcyclohexa-2,4-dien-1-one;21428-63-7;2,2-Dimethylcyclohexadienon;6,6-dimethylcyclohexadienone;SCHEMBL460074;DTXSID20499452;VSNLNLVROSQGIA-UHFFFAOYSA-N

Suppliers and Price of 6,6-Dimethylcyclohexa-2,4-dien-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 6,6-Dimethylcyclohexa-2,4-dien-1-one

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:122.073164938
Heavy Atom Count:9
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 6,6-Dimethylcyclohexa-2,4-dien-1-one

There total 8 articles about 6,6-Dimethylcyclohexa-2,4-dien-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: 85.0%

: 82054-07-7
C₁₆H₂₀O₂

: 21428-63-7
6,6-dimethyl-2,4-cyclohexadienone

Guidance literature:: at 380 ℃; under 60 Torr;
DOI:10.1016/0040-4020(81)80006-3

Reference yield:

: 95-47-6
o-xylene

: 95-65-8
3,4-Dimethylphenol

: 576-26-1,25134-01-4
2.6-dimethylphenol

: 526-75-0
2,3-Dimethylphenol

: 21428-63-7
6,6-dimethyl-2,4-cyclohexadienone

: 95-48-7,77504-84-8
ortho-cresol

Guidance literature:: With oxygen; In hexane; at -10 ℃; for 0.166667h; Product distribution; various solvents and temperature;
DOI:10.1021/ja00294a048

Reference yield:

: 95-47-6
o-xylene

: 95-65-8
3,4-Dimethylphenol

: 576-26-1,25134-01-4
2.6-dimethylphenol

: 526-75-0
2,3-Dimethylphenol

: 89-95-2
2-methyl-benzyl alcohol

: 21428-63-7
6,6-dimethyl-2,4-cyclohexadienone

Guidance literature:: With cytochrome P₄₅₀Bm₃ KT₂ (A₁₉₁T/N₂₃₉H/I₂₅₉V/A₂₇₆T/L₃₅₃I); oxygen; NADPH; In dimethyl sulfoxide; at 30 ℃; pH=7.4; Enzymatic reaction;
DOI:10.1039/c5cc09247g