Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-

Base Information

• Chemical Name: Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-
• CAS No.: 7214-18-8
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• European Community (EC) Number: 230-601-5
• UNII: LZ2HR826BL
• DSSTox Substance ID: DTXSID00884362
• Nikkaji Number: J221.596I
• Mol file: 7214-18-8.mol

Synonyms:LZ2HR826BL;470666-82-1;UNII-LZ2HR826BL;Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-;(-)-(1R,2R)-2-tert-Butylcyclohexanol;Cyclohexanol, 2-tert-butyl-, (-)-cis-;J221.596I;(1R,2R)-2-(1,1-Dimethylethyl)cyclohexanol;2beta-(1,1-Dimethylethyl)cyclohexan-1beta-ol;Cyclohexanol, 2-(1,1-dimethylethyl)-, cis-(-)-;Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-;7214-18-8;Cyclohexanol, 2-(1,1-dimethylethyl)-, cis-;cis-2-t-butylcyclohexanol;SCHEMBL6229392;cis-2-tertiary-butylcyclohexanol;DTXSID00884362;2.BETA.-(1,1-DIMETHYLETHYL)CYCLOHEXAN-1.BETA.-OL

Chemical Property of Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-

Chemical Property:

• Boiling Point: 213℃ at 101.325kPa
• PSA: 20.23000
• Density: 0.911 at 20.1℃
• LogP: 2.58360
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCCCC1O
• Isomeric SMILES: CC(C)(C)[C@H]1CCCC[C@H]1O

Technology Process of Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-

There total 12 articles about Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel- 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%

2-tert-butylcyclohexanone (1728-46-7) → trans-2-tert-butylcyclohexan-1-ol (5448-22-6) + cis-2-tert-butylcyclohexanol (7214-18-8)

Guidance literature:

With isopropoxydiisobutylaluminum; In dichloromethane; toluene; at 25 ℃; for 6h; Further Variations:; Solvents; Product distribution;

DOI:10.1021/jo049300f

Reference yield: 59.0%

cis-2-(tert-butyl)cyclohexyl acetate (88-41-5,20298-69-5,20298-70-8,142798-19-4) → cis-2-tert-butylcyclohexanol (7214-18-8)

Guidance literature:

With potassium hydroxide; In methanol; water; at 75 ℃; for 72h;

DOI:10.1002/hlca.200490237

Reference yield: 49.0%

2-tert-butylcyclohexanone (1728-46-7) → cis-2-tert-butylcyclohexanol (7214-18-8)

Guidance literature:

With L-Selectride; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201800118

upstream raw materials:

trans-2-tert-butylcyclohexan-1-ol

2-tert-butylcyclohexanone

2-tert-Butylphenol

cis-2-(tert-butyl)cyclohexyl acetate

Downstream raw materials:

(+/-)-toluene-4-sulfonic acid-(cis-2-tert-butyl-cyclohexyl ester)

trans-2-tert-butylcyclohexan-1-ol

1-tert-butylcyclohexane-cis-1,2-diol

(S,S)-cis-2-tert-butylcyclohexanol

Refernces

• 1、 Walters, Jennifer C.,Tierno, Anthony F.,Dubin, Aimee H.,Wengryniuk, Sarah E.. "(Poly)cationic λ3-Iodane-Mediated Oxidative Ring Expansion of Secondary Alcohols". supporting information. p. 1460 - 1464. Retrieved 2018/04/06.
• 2、 Cha, Jin Soon,Noh, Minyeong. "Selective reduction of organic compounds with Al- methanesulfonyldiisobutylalane". experimental part. p. 840 - 844. Retrieved 2010/10/21.