1-(3-Methoxyphenyl)cyclohexan-1-ol

Base Information

• Chemical Name: 1-(3-Methoxyphenyl)cyclohexan-1-ol
• CAS No.: 1884-42-0
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID00562956
• Wikidata: Q82447285
• Mol file: 1884-42-0.mol

Synonyms:1-(3-Methoxyphenyl)cyclohexan-1-ol;1-(3-METHOXYPHENYL)CYCLOHEXANOL;1884-42-0;SCHEMBL4180702;1-(m-methoxyphenyl)cyclohexanol;DTXSID00562956;FGCFTLWVTWVAPJ-UHFFFAOYSA-N;BAA88442;1-[3-(methyloxy)phenyl]cyclohexanol;CS-0353339;EN300-319930

Chemical Property of 1-(3-Methoxyphenyl)cyclohexan-1-ol

Chemical Property:

• PSA: 29.46000
• LogP: 2.84690
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

1-(3-METHOXYPHENYL)CYCLOHEXANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2(CCCCC2)O
• Uses: 1-(3-Methoxyphenyl)cyclohexanol can react with the NMDA receptor coupled PCP-binding which can make it effective at treating different forms of cancer.

Technology Process of 1-(3-Methoxyphenyl)cyclohexan-1-ol

There total 4 articles about 1-(3-Methoxyphenyl)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: 100.0%

(3-methoxyphenyl)magnesium bromide (36282-40-3) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(m-Methoxyphenyl)cyclohexanol (1884-42-0)

Guidance literature:

(3-methoxyphenyl)magnesium bromide; cyclohexanone; In diethyl ether; at 0 - 20 ℃; for 4h;

With water; at 0 ℃;

Reference yield: 94.0%

3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(m-Methoxyphenyl)cyclohexanol (1884-42-0)

Guidance literature:

With [Rh(OH)(cod)]2; (+/-)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis{bis[2,6-bis(trifluoromethyl)-4-pyridyl]phosphine}; In water; toluene; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201104588

Reference yield: 87.0%

3-methoxyphenyl bromide (2398-37-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(m-Methoxyphenyl)cyclohexanol (1884-42-0)

Guidance literature:

3-methoxyphenyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -14 ℃; for 0.166667h; Inert atmosphere;

cyclohexanone; In tetrahydrofuran; at -40 ℃; Inert atmosphere;

With water; ammonium chloride;

DOI:10.1021/op034193x

upstream raw materials:

3-methoxyphenyl bromide

cyclohexanone

(3-methoxyphenyl)magnesium bromide

3-methoxyphenylboronic acid

Downstream raw materials:

1-Cyclohex-1-enyl-3-methoxy-benzene

(+/-)-1-(3-Methoxy-phenyl)-7-oxa-bicyclo[4.1.0]heptane