Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl-

Base Information

• Chemical Name: Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl-
• CAS No.: 63767-87-3
• Molecular Formula: C12H24 O
• Molecular Weight: 184.322
• European Community (EC) Number: 264-451-7,262-579-8
• DSSTox Substance ID: DTXSID60886307,DTXSID401214048
• Nikkaji Number: J286.552A,J415.976D,J415.977B
• Mol file: 63767-87-3.mol

Synonyms:63767-87-3;EINECS 264-451-7;61065-77-8;EINECS 262-579-8;cis-4-(1,1-Dimethylethyl)-alpha-methylcyclohexylmethanol;Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl-;Cyclohexanemethanol, 4-(1,1-dimethylethyl)-.alpha.-methyl-;1-(alpha-Hydroxyethyl)-4-t-butylcyclohexane;4-(1,1-Dimethylethyl)-alpha-methylcyclohexylmethanol;SCHEMBL7009861;SCHEMBL11452012;SCHEMBL11459167;DTXSID60886307;DTXSID401214048;AKOS014736169;cis-1-hydroxyethyl-4-t-butylcyclohexane;4-(1,1-Dimethylethyl)-alpha-methylcyclohexanemethanol;4alpha-tert-Butyl-alpha-methylcyclohexane-1alpha-methanol;4beta-tert-Butyl-alpha-methylcyclohexane-1alpha-methanol;cis-4-(1,1-Dimethylethyl)-alpha-methylcyclohexanemethanol

Chemical Property of Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl-

Chemical Property:

• PSA: 20.23000
• LogP: 3.21970
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCC(CC1)C(C)(C)C)O

Technology Process of Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl-

There total 3 articles about Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl- 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:

4'-t-butylacetophenone (943-27-1) → 4-tert.-butylcyclohexyl methyl ketone (19091-09-9) + 1-(4-tert-butyl-1-cyclohexenyl)ethanol (63767-87-3,61065-77-8)

Guidance literature:

With hydrogen; rhodium; platinum; In acetic acid; for 4h; under 36775.4 Torr; Yield given;

DOI:10.1248/cpb.35.3276

Reference yield:

Diazoethan (1117-96-0) + 4-tercbutyl-cyclohexanone (98-53-3) → 1-(4-tert-butyl-1-cyclohexenyl)ethanol (63767-87-3,61065-77-8) + cis-5-tert-butyl-2-methylcycloheptanone + trans-5-tert-butyl-2-methylcycloheptanone

Guidance literature:

triisobutylaluminum; In dichloromethane; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00096a009

Reference yield:

4'-t-butylacetophenone (943-27-1) → 1-(4-tert-butylphenyl)ethanol (101325-12-6,101325-14-8,119479-30-0,34386-42-0) + 1-(4-tert-butyl-1-cyclohexenyl)ethanol (63767-87-3,61065-77-8)

Guidance literature:

With hydrogen;

DOI:10.1016/j.cattod.2014.03.030

upstream raw materials:

Diazoethan

4-tercbutyl-cyclohexanone

4'-t-butylacetophenone

Downstream raw materials:

4-tert.-butylcyclohexyl methyl ketone

trans-1-(4'-t-butylcyclohexyl)-1-ethanone

2-Bromo-1-(4-tert-butyl-cyclohexyl)-ethanone

1-(4-tert-Butyl-cyclohexyl)-2-hydroxy-ethanone

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