(1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol

Base Information

• Chemical Name: (1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol
• CAS No.: 109527-45-9
• Molecular Formula: C15H22 O
• Molecular Weight: 218.339
• DSSTox Substance ID: DTXSID00450485
• Nikkaji Number: J547.863D
• Wikidata: Q82270232
• Mol file: 109527-45-9.mol

Synonyms:(1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol;109527-45-9;(1S,2R)-2-(2-PHENYLPROPAN-2-YL)CYCLOHEXAN-1-OL;SCHEMBL3276227;DTXSID00450485;(1alpha)-2beta-(alpha-Cumyl)cyclohexanol;J-002300;(1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol, 98%

Chemical Property of (1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol

Chemical Property:

• Vapor Pressure: 0mmHg 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:

98%min ^*data from raw suppliers

(1S,2R)-(+)-TRANS-2-(1-METHYL-1-PHENYLETHYL)CYCLOHEXANOL 98.00% ^*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 (1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol

There total 11 articles about (1S,2R)-(+)-trans-2-(1-Methyl-1-phenylethyl)cyclohexanol 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: 84.0%

(2S,5R)-((1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl)tetrahydro-5-((S)-2-trimethylsiloxy-6-methylhept-5-en-2-yl)-2-methylfuran-2-carboxylate (1228187-18-5) → (2R,5R)-tetrahydro-5-((S)-2-trimethylsiloxy-6-methylhept-5-en-2-yl)-2-methylfuran-2-carbaldehyde (1228187-15-2) + (1S,2R)-(+)-trans-2-(1-methyl-1-phenylethyl)cyclohexanol (109527-45-9)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 4h;

DOI:10.1021/ol100513y

Reference yield: 71.0%

1,2,9,10-tetramethoxy-4,5,6a,7-tetrahydro-dibenzo[de,g]quinoline-6-carboxylic acid 2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester → (1S,2R)-(+)-trans-2-(1-methyl-1-phenylethyl)cyclohexanol (109527-45-9) + glaucine (475-81-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1016/S0040-4020(97)01018-1

Reference yield: 65.0%

C26H40O2 → (-)-(2R,5R)-2-(2-hydroxyethyl)-5-isopropyl-2-methylcyclopentanone + C11H20O2 + (1S,2R)-(+)-trans-2-(1-methyl-1-phenylethyl)cyclohexanol (109527-45-9)

Guidance literature:

With water; In acetone; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02023

upstream raw materials:

Isopropylbenzene

cyclohexane-1,2-epoxide

1-[2-bromo-4,5-dimethoxybenzyl]-2-[((1S,2R)-(1-methyl-1-phenylethyl)cyclohexyloxy)carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

(R)-4-Oxo-2-((1E,3E)-4-phenyl-buta-1,3-dienyl)-5-triisopropylsilanyl-3,4-dihydro-2H-pyridine-1-carboxylic acid (1S,2R)-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

Downstream raw materials:

(1S,2R)-2-(1-methyl-1-phenylethyl)cyclohexyl chloroformate

(Z)-(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl-6,10-dimethyl-2-methyleneundeca-5,9-dienoate

(R)-2-(2-phenylpropan-2-yl)cyclohexanone

C₁₈H₂₄O₂S₂

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