alpha,alpha,beta-2,6-Dimethylcyclohexanol

Base Information

• Chemical Name: alpha,alpha,beta-2,6-Dimethylcyclohexanol
• CAS No.: 39170-83-7
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.214
• Nikkaji Number: J1.036.605D
• Mol file: 39170-83-7.mol

Synonyms:alpha,alpha,beta-2,6-Dimethylcyclohexanol;39170-83-7;2beta,6alpha-Dimethylcyclohexane-1alpha-ol

Chemical Property of alpha,alpha,beta-2,6-Dimethylcyclohexanol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCC(C1O)C
• Isomeric SMILES: C[C@H]1CCC[C@@H](C1O)C

Technology Process of alpha,alpha,beta-2,6-Dimethylcyclohexanol

There total 49 articles about alpha,alpha,beta-2,6-Dimethylcyclohexanol 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: 94.0%

2.6-dimethylphenol (576-26-1,25134-01-4) → 2,6-dimethylcyclohexanol (5337-72-4,39170-83-7)

Guidance literature:

With 10% Ru/C; hydrogen; In isopropyl alcohol; at 60 ℃; for 8h; under 3800.26 Torr;

DOI:10.1002/chem.200900361

Reference yield: 87.0%

2,6-dimethylcyclohexanone (2816-57-1) + dichloromethane (75-09-2) → 2,6-dimethylcyclohexanol (5337-72-4,39170-83-7) + 2,6-Dimethylmethylidenecyclohexanone (95177-47-2,19781-47-6)

Guidance literature:

With titanium tetrachloride; magnesium; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

DOI:10.1021/ol0478887

Reference yield: 42.0%

2,6-dimethylcyclohexanone (2816-57-1) → 2,6-dimethylcyclohexanol (5337-72-4,39170-83-7) + cis,cis-2,6-dimethylcyclohexanol (39170-84-8,39170-83-7) + trans,trans-2,6-dimethylcyclohexanol (42846-29-7,39170-83-7)

Guidance literature:

With hydrogen; Nic; In ethanol; at 25 ℃; under 760 Torr;

DOI:10.1021/jo01298a037

upstream raw materials:

2,6-dimethylcyclohexanone

2.6-dimethylphenol

hydrogenchloride

acetic acid

Downstream raw materials:

2,4-dimethylcyclohexene

2,6-Dimethyl-1-trimethylsilanyloxy-cyclohexanecarbonitrile

(1r*,2R*,6S*)-2,6-dimethylcyclohexanol

trans-2,6-dimethylcyclohexanone

Refernces

• 1、 Chowdhury, Luvana,Croft, Celine J.,Goel, Shikha,Zaman, Naina,Tai, Angela C.-S.,Walch, Erin M.,Smith, Kelly,Page, Alexandra,Shea, Kevin M.,Hall, C. Dennis,Jishkariani,Pillai, Girinath G.,Hall, Adam C.. "Differential potency of 2,6-dimethylcyclohexanol isomers for positive modulation of GABAA receptor currents". . p. 570 - 579. Retrieved 2016.
• 2、 Li, Huaifeng,Wang, Yuan,Lai, Zhiping,Huang, Kuo-Wei. "Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus-Nitrogen PN3-Pincer Ligand Containing a Phenanthroline Backbone". . p. 4446 - 4450. Retrieved 2017/07/24.
• 3、 -. "ORGANIC COMPOUND USED AS FRAGRANCE INGREDIENTS". . . Retrieved 2017/09/08.