trans-2-tert-Butylcyclohexan-1-ol

Base Information

• Chemical Name: trans-2-tert-Butylcyclohexan-1-ol
• CAS No.: 98104-30-4
• Deprecated CAS: 16201-62-0,67738-25-4,67738-25-4
• Molecular Formula: C10H20O
• Molecular Weight: 156.268
• European Community (EC) Number: 226-670-6
• UNII: 9T74YJB0Y3,7KM55MK799
• DSSTox Substance ID: DTXSID0052201
• Nikkaji Number: J415.407J
• Wikidata: Q27273161
• Mol file: 98104-30-4.mol

Synonyms:trans-2-tert-Butylcyclohexan-1-ol;(1R,2S)-2-tert-butylcyclohexan-1-ol;5448-22-6;98104-30-4;(-)-trans-2-tert-butylcyclohexanol;trans-2-tert-Butylcyclohexanol;Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-;7KM55MK799;13492-07-4;Cyclohexanol, 2-tert-butyl-, trans-;(1R,2S)-2-(tert-Butyl)cyclohexan-1-ol;UNII-7KM55MK799;J415.407J;9T74YJB0Y3;(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol;2-tert-Butylcyclohexanol, trans-;Cyclohexanol, 2-(1,1-dimethylethyl)-, trans-;(+)-Trans-2-tert-butylcyclohexanol;(1R)-2alpha-(1,1-Dimethylethyl)-1beta-cyclohexanol;Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R-trans)-;Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-rel-;NSC 17482;UNII-9T74YJB0Y3;EINECS 226-670-6;NSC-17482;trans-2-t-butylcyclohexanol;SCHEMBL3789716;DTXSID0052201;DLTWBMHADAJAAZ-RKDXNWHRSA-N;(1R,2S)-2-tert-butylcyclohexanol;AKOS006237378;J422.743C;rac-(1R,2S)-2-tert-butylcyclohexan-1-ol;EN300-1636873;(-)-TRANS-2-TERT-BUTYLCYCLOHEXANOL 99+%;Cyclohexanol,2-(1,1-dimethylethyl)-,(1S,2R)-;Q27273161;REL-(1R*,2S*)-2-TERT-BUTYL-1-CYCLOHEXANOL;(1R)-2.ALPHA.-(1,1-DIMETHYLETHYL)-1.BETA.-CYCLOHEXANOL

Chemical Property of trans-2-tert-Butylcyclohexan-1-ol

Chemical Property:

• 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:

98% ^*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 trans-2-tert-Butylcyclohexan-1-ol

There total 15 articles about trans-2-tert-Butylcyclohexan-1-ol 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: 70.0%

trans-2-tert-butylcyclohexyl acetate (88-41-5,20298-69-5,20298-70-8,142798-19-4) → trans 2-tert-butylcyclohexanol (98104-30-4)

Guidance literature:

With water; In acetone; at 35 ℃; for 720h; pig liver aceton powder, K₂HPO₄, KH₂PO₄, albumine, pH 7.0;

Reference yield: 70.0%

trans-2-tert-Butylcyclohexylchloracetat (142798-18-3) → trans 2-tert-butylcyclohexanol (98104-30-4)

Guidance literature:

With water; In acetone; at 35 ℃; for 96h; pig liver aceton powder, K₂HPO₄, KH₂PO₄, albumine, pH 7.0;

Reference yield:

2-tert-butylcyclohexyl vinyl ether → (1S,2R) 2-tert-butylcyclohexyl vinyl ether + (1R,2S) 2-tert-butylcyclohexyl vinyl ether + trans 2-tert-butylcyclohexanol (98104-30-4) + (+)-(1S,2R)-2-(tert-butyl)cyclohexanol (13492-07-4)

Guidance literature:

With water; C₂H₃O₂^(1-)*C₃₆H₅₃CoN₂O₂⁽¹⁺⁾; 2BF₄^(1-)*C₇₄H₁₀₄O₁₀P₂Pt⁽²⁺⁾; In isopropyl alcohol; at 60 ℃; for 6h; Product distribution / selectivity;

upstream raw materials:

(-)-2-tert-butylcyclohexanone

trans-2-tert-butylcyclohexyl acetate

trans-2-tert-Butylcyclohexylchloracetat

(+)-3β-Acetoxy-Δ⁵-aetiensaeure-trans-2-tert.-butyl-cyclohexanolester

Downstream raw materials:

(-)-2-tert-butylcyclohexanone

Refernces

• 1、 -. "Process for producing optically active compound". Page/Page column 6. . Retrieved 2008/06/13.
• 2、 Matsugi, Masato,Hagimoto, Yuri,Nojima, Masatomo,Kita, Yasuyuki. "Effective nonenzymatic kinetic resolution of (±)-trans-2-arylcyclohexanols using 3β-acetoxyetienic acid, DCC, and DMAP". . p. 583 - 584. Retrieved 2013/09/05.