(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

Base Information

• Chemical Name: (1R,2S)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
• CAS No.: 109527-43-7
• Molecular Formula: C15H22 O
• Molecular Weight: 218.339
• DSSTox Substance ID: DTXSID20546076
• Nikkaji Number: J547.862F
• Wikidata: Q82423776
• Mol file: 109527-43-7.mol

Synonyms:109527-43-7;(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;(1R,2S)-(-)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol;SCHEMBL3276229;DTXSID20546076;CTYOSJAXQPHWCK-ZIAGYGMSSA-N;trans-2-(alpha-cumyl)cyclohexanol;AKOS015913532;J-002299;racemic trans-2-(1-methyl-1-phenylethyl)cyclohexanol;(1R,2S)-(-)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol, 97%

Chemical Property of (1R,2S)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

Chemical Property:

• Vapor Pressure: 0.000104mmHg at 25°C
• Refractive Index: n20/D 1.541(lit.)
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 132.2°C
• PSA: 20.23000
• Density: 1.012g/cm³
• LogP: 3.51530
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.167065321
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

(1R,2S)-(-)-TRANS-2-(1-METHYL-1-PHENYLETHYL)CYCLOHEXANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CCCCC1O)C2=CC=CC=C2
• Isomeric SMILES: CC(C)([C@@H]1CCCC[C@H]1O)C2=CC=CC=C2

Technology Process of (1R,2S)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

There total 8 articles about (1R,2S)-2-(2-phenylpropan-2-yl)cyclohexan-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: 91.0%

(+)-(5S,6aS,9aR,9bS)-9,9-(2,2-Dimethylpropylenedioxy)-6a-(3,4-dimethoxyphenyl)-5-{[(1R,2S)-2-(1-methyl-1-phenylethyl)cyclohexyl]oxy}hexahydro-1H-isooxazolo-[2,3,3-h] [2,1]benzoxazine (187850-39-1) → (1R,2S)-(-)-trans-2-(1-methyl-1-phenylethyl)cyclohexanol (109527-43-7) + (+)-[(3aS,7R,7aS)-3a-(3,4-dimethoxyphenyl)-6,6-(2,2-dimethylpropylenedioxy)octahydroindol-7-yl]methanol (187850-40-4)

Guidance literature:

With hydrogen; nickel; In methanol; for 48h; under 15514.4 Torr; Ambient temperature;

DOI:10.1021/jo970079z

Reference yield:

[1-Methyl-1-((1S,2R)-2-vinyloxy-cyclohexyl)-ethyl]-benzene (180628-93-7) → (1R,2S)-(-)-trans-2-(1-methyl-1-phenylethyl)cyclohexanol (109527-43-7)

Guidance literature:

Multi-step reaction with 3 steps

1: trimethylaluminium, 2,6-di-tert-butyl-4-methylphenol / toluene; CH₂Cl₂ / -15 °C

2: 0.870 g / benzene / 1 h / Heating

3: 91 percent / H₂ / Raney nickel / methanol / 48 h / 15514.4 Torr / Ambient temperature

With 2,6-di-tert-butyl-4-methyl-phenol; hydrogen; trimethylaluminum; nickel; In methanol; dichloromethane; toluene; benzene;

DOI:10.1021/jo970079z

Reference yield:

(4S,6S)-4-{5-[3,3-(2,2-Dimethylpropylenedioxy)-1-pentenyl]}-4-(3,4-dimethoxyphenyl)-6-{[(1R,2S)-2-(1-methyl-1-phenylethyl)cyclohexyl]oxy}-5,6-dihydro-4H-[1,2]oxazine N-Oxide (187850-38-0) → (1R,2S)-(-)-trans-2-(1-methyl-1-phenylethyl)cyclohexanol (109527-43-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.870 g / benzene / 1 h / Heating

2: 91 percent / H₂ / Raney nickel / methanol / 48 h / 15514.4 Torr / Ambient temperature

With hydrogen; nickel; In methanol; benzene;

DOI:10.1021/jo970079z

upstream raw materials:

Isopropylbenzene

cyclohexane-1,2-epoxide

Dodecanoic acid (1R,2S)-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

(+)-(5S,6aS,9aR,9bS)-9,9-(2,2-Dimethylpropylenedioxy)-6a-(3,4-dimethoxyphenyl)-5-{[(1R,2S)-2-(1-methyl-1-phenylethyl)cyclohexyl]oxy}hexahydro-1H-isooxazolo-[2,3,3-h] [2,1]benzoxazine

Downstream raw materials:

[1-Methyl-1-((1S,2R)-2-vinyloxy-cyclohexyl)-ethyl]-benzene

(S)-2-(2-phenylpropan-2-yl)cyclohexanone