(1R,2R)-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

Base Information

• Chemical Name: (1R,2R)-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
• CAS No.: 125224-44-4
• Molecular Formula: C14H20O2
• Molecular Weight: 220.312
• DSSTox Substance ID: DTXSID701242294
• Nikkaji Number: J1.792.818J
• Mol file: 125224-44-4.mol

Synonyms:125224-44-4;DTXSID701242294;(1R,2R)-2-[(4-Methoxyphenyl)methyl]cyclohexanol

Chemical Property of (1R,2R)-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2CCCCC2O
• Isomeric SMILES: COC1=CC=C(C=C1)C[C@H]2CCCC[C@H]2O

Technology Process of (1R,2R)-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

There total 19 articles about (1R,2R)-2-[(4-methoxyphenyl)methyl]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: 97.0%

2-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-cyclohexanol (113794-84-6,1219025-21-4) → (1R,2R)-2-(4-methoxybenzyl)cyclohexan-1-ol (125224-44-4)

Guidance literature:

With C₅₆H₅₉Cl₂N₂O₄P₂Ru; hydrogen; triethylamine; potassium hydroxide; In tert-butyl alcohol; at 30 ℃; for 4h; under 3040.2 Torr; stereoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201901269

Reference yield: 95.0%

cis-2-(4-methoxybenzyl)cyclohexyl acetate (84654-70-6,84654-73-9,112066-39-4,112066-40-7) → (+/-)-cis-2-(4-methoxybenzyl)cyclohexan-1-ol (37722-51-3,37722-52-4,109177-08-4,109177-09-5,110786-68-0,112066-33-8,112066-34-9,125224-44-4,125224-45-5)

Guidance literature:

With phosphate buffer; 1,3-dimethylimidazolinium methanesulfonate; immobilized Novozyme 435; In acetonitrile; at 40 ℃; for 72h; pH=6.5;

DOI:10.1016/j.tetasy.2006.10.045

Reference yield: 93.0%

trans-2-(4-methoxybenzyl)cyclohexyl acetate (84654-70-6,84654-73-9,112066-39-4,112066-40-7) → (+/-)-trans-2-(4-methoxybenzyl)cyclohexan-1-ol (37722-51-3,37722-52-4,109177-08-4,109177-09-5,110786-68-0,112066-33-8,112066-34-9,125224-44-4,125224-45-5)

Guidance literature:

With phosphate buffer; immobilized Novozyme 435; 1-n-butyl-4-methylpyridinium chloride; In acetonitrile; at 40 ℃; for 72h; pH=6.5;

DOI:10.1016/j.tetasy.2006.10.045

upstream raw materials:

2-(4-methoxybenzyl)cyclohexan-1-one

cis-2-(4-methoxybenzyl)cyclohexyl acetate

1-(1-Cyclohexen-1-yl)pyrrolidine

cyclohexanone

Downstream raw materials:

cis-(1S,2S)-(+)-2-(4-methoxybenzyl)-1-cyclohexanol

(1S,2S)-2-(4-methoxybenzyl)cyclohexyl acetate

(1R,2R)-2-(4-methoxybenzyl)cyclohexyl acetate

(1S,2S)-2-(4-methoxybenzyl)cyclohexyl butanoate