3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one

Base Information

Chemical Name:3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one
CAS No.:34014-87-4
Molecular Formula:C10H14O
Molecular Weight:150.21800
Hs Code.:
UNII:JZ985K46ZX
DSSTox Substance ID:DTXSID70502708
Nikkaji Number:J799.491E
Wikidata:Q6963565
Wikipedia:Penguinone

Synonyms:Penguinone;34014-87-4;3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one;2,5-Cyclohexadien-1-one, 3,4,4,5-tetramethyl-;JZ985K46ZX;DTXSID70502708;3,4,4,5-Tetramethyl-2,5-cyclohexadienone;3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-ON

Suppliers and Price of 3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one

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
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price

Total 1 raw suppliers

Chemical Property of 3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one

Chemical Property:

Melting Point:46-47 °C
Boiling Point:215.0±30.0 °C(Predicted)
PSA：17.07000
Density:0.916±0.06 g/cm3(Predicted)
LogP:2.48790
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:150.104465066
Heavy Atom Count:11
Complexity:230

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)C=C(C1(C)C)C

Technology Process of 3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one

There total 8 articles about 3,4,4,5-Tetramethyl-2,5-cyclohexadien-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: 82.0%

: 40441-52-9
2,6-Dibrom-3,4,4,5-tetramethylcyclohexanon

: 34014-87-4
3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-on

Guidance literature:: With calcium carbonate; In N,N-dimethyl-formamide; Heating;

Reference yield:

: 22681-02-3,396665-47-7
1,2,6,6-Tetramethyl-bicyclo<3.1.0>hexen-(2)-on-(4)

: 34014-87-4
3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-on

Guidance literature:: With silica gel; In cyclohexane; benzene; Irradiation;
DOI:10.1021/ja01021a057

Reference yield:

: 17429-29-7
4,4,5-trimethyl-2-cyclohexen-1-one

: 34014-87-4
3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-on

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / CuI / diethyl ether / 0.5 h / 0 °C

2: 70 percent / Br₂ / acetic acid / 1) 2 h, 0 deg C, 2) 30 min, r.t.

3: 82 percent / CaCO₃ / dimethylformamide / Heating

With copper(l) iodide; bromine; calcium carbonate; In diethyl ether; acetic acid; N,N-dimethyl-formamide;