trans-3,4-Dimethylcyclohexanone

Base Information

Chemical Name:trans-3,4-Dimethylcyclohexanone
CAS No.:28023-45-2
Molecular Formula:C₈H₁₄O
Molecular Weight:126.199
Hs Code.:
DSSTox Substance ID:DTXSID50483127
Nikkaji Number:J231.745A
Wikidata:Q82320167
Mol file:28023-45-2.mol

Synonyms:TRANS-3,4-DIMETHYLCYCLOHEXANONE;28023-45-2;SCHEMBL1771597;DTXSID50483127;ZDCYWXYPRPCJOY-RNFRBKRXSA-N;(3R,4R)-3,4-dimethylcyclohexanone;AKOS006274381;(3R,4R)-3,4-Dimethylcyclohexan-1-one

Suppliers and Price of trans-3,4-Dimethylcyclohexanone

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 5 raw suppliers

Chemical Property of trans-3,4-Dimethylcyclohexanone

Chemical Property:

Boiling Point:187.0±0.0 °C(Predicted)
PSA：17.07000
Density:0.882±0.06 g/cm3(Predicted)
LogP:2.01160
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:126.104465066
Heavy Atom Count:9
Complexity:118

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC(=O)CC1C
Isomeric SMILES:C[C@@H]1CCC(=O)C[C@H]1C

Technology Process of trans-3,4-Dimethylcyclohexanone

There total 15 articles about trans-3,4-Dimethylcyclohexanone 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%

: 6876-23-9
1,2-trans-dimethylcyclohexane

: 19879-11-9
1,2-dimethylcyclohexanol

: 1551-89-9
trans-2,3-dimethylcyclohexanone

: 5465-09-8,27922-05-0,28023-45-2,69127-34-0,75364-86-2,75364-88-4,75364-89-5,113348-79-1
trans-1,2-dimethyl-cyclohexan-4-one

Guidance literature:: With methyltrifluoromethyldioxirane; In dichloromethane; at -22 ℃; for 0.166667h; Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/ja00199a039

Reference yield: 75.0%

: 75337-05-2,79980-78-2,101758-35-4,5515-76-4
4-methyl-2-cyclohexenone

: 917-54-4
methyllithium

: 5465-09-8,27922-05-0,28023-45-2,69127-34-0,75364-86-2,75364-88-4,75364-89-5,113348-79-1
trans-1,2-dimethyl-cyclohexan-4-one

Guidance literature:: methyllithium; With copper(l) cyanide; In diethyl ether; at -78 - 0 ℃; Inert atmosphere;

4-methyl-2-cyclohexenone; In diethyl ether; at -78 ℃; Inert atmosphere;

With water; ammonium chloride; In diethyl ether; Inert atmosphere;
DOI:10.1002/anie.201304359