3-Phenylcyclohexanol

Base Information

• Chemical Name: 3-Phenylcyclohexanol
• CAS No.: 49673-74-7
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• NSC Number: 174840
• DSSTox Substance ID: DTXSID10306267
• Nikkaji Number: J89.531H
• Mol file: 49673-74-7.mol

Synonyms:3-Phenylcyclohexanol;49673-74-7;3-phenylcyclohexan-1-ol;3-Phenyl-cyclohexanol;NSC174840;SCHEMBL787976;DTXSID10306267;AKOS006292591;NSC-174840;SB37353;WS-03151;CS-0342704;FT-0770364;D85581

Chemical Property of 3-Phenylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.000673mmHg at 25°C
• Boiling Point: 295.8°Cat760mmHg
• Flash Point: 113.3°C
• PSA: 20.23000
• Density: 1.051g/cm³
• LogP: 2.70510
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

3-Phenyl-cyclohexanol 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC(C1)O)C2=CC=CC=C2

Technology Process of 3-Phenylcyclohexanol

There total 38 articles about 3-Phenylcyclohexanol 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%

C21H22O → 3-phenyl-1-cyclohexanol (49673-74-7)

Guidance literature:

With ammonia; sodium; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)02250-4

Reference yield: 93.0%

4,4-Bis-benzenesulfonyl-3-phenyl-cyclohexanone (141832-01-1) → 3-phenyl-1-cyclohexanol (49673-74-7)

Guidance literature:

With sodium dihydrogenphosphate; sodium amalgam; In methanol; for 12h; Ambient temperature;

DOI:10.1016/S0040-4020(01)92236-7

Reference yield: 82.0%

3-oxo-5-phenylcyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate (144150-82-3) → 3-phenyl-1-cyclohexanol (49673-74-7)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol; ice-cooling;

upstream raw materials:

5-phenyl-cyclohexane-1,3-dione

3-chloro-5-phenylcyclohex-2-en-1-one

4,4-Bis-benzenesulfonyl-3-phenyl-cyclohexanone

3-oxo-5-phenylcyclohex-1-en-1-yl 4-methylbenzene-1-sulfonate

Downstream raw materials:

cis-3-Phenyl-cyclohexanol

cis-3-Phenylcyclohexylacetat

cis-3-phenylcyclohexanol

1-phenyl-1-cyclohexane

Refernces

• 1、 Martínez-Prieto,Ferry,Rakers,Richter,Lecante,Philippot,Chaudret,Glorius. "Long-chain NHC-stabilized RuNPs as versatile catalysts for one-pot oxidation/hydrogenation reactions". supporting information. p. 4768 - 4771. Retrieved 2016/04/09.
• 2、 Ohshima, Takashi,Tadaoka, Hiroshi,Hori, Kiyoto,Sayo, Noboru,Mashima, Kazushi. "Highly enantio- and s-trans C=C bond selective catalytic hydrogenation of cyclic enones: Alternative synthesis of (-)-menthol". scheme or table. p. 2060 - 2066. Retrieved 2009/04/07.