4-(4-Hydroxycyclohexyl)phenol

Base Information

• Chemical Name: 4-(4-Hydroxycyclohexyl)phenol
• CAS No.: 370860-74-5
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• European Community (EC) Number: 805-847-7
• DSSTox Substance ID: DTXSID60436427
• Nikkaji Number: J1.384.687A,J2.566.066H
• ChEMBL ID: CHEMBL4528491
• Mol file: 370860-74-5.mol

Synonyms:4-(4-hydroxycyclohexyl)phenol;4-(cis-4-Hydroxycyclohexyl)phenol;370860-74-5;p-(trans-4-hydroxycyclohexyl)phenol;16715-88-1;65132-43-6;4-(trans-4'-Hydroxycyclohexyl)phenol;CHEMBL4528491;trans-4-(4-Hydroxyphenyl)cyclohexanol;SCHEMBL178486;SCHEMBL605342;SCHEMBL9923599;SCHEMBL12216947;DTXSID60436427;4-(4-Hydroxy-cyclohexyl)-phenol;LSVLMFBVUQQWOQ-UHFFFAOYSA-N;LSVLMFBVUQQWOQ-UMSPYCQHSA-N;trans-4-(4-hydroxycyclohexyl)phenol;BDBM50517929;MFCD03093649;MFCD23380209;AKOS024389670;4-(trans-4'-Hydroxycyclohexyl)-phenol;H1384;4-(4beta-Hydroxycyclohexane-1alpha-yl)phenol;T72378

Chemical Property of 4-(4-Hydroxycyclohexyl)phenol

Chemical Property:

• Melting Point: 207.0 to 211.0 °C
• PSA: 40.46000
• LogP: 2.41070
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(cis-4-Hydroxycyclohexyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C2=CC=C(C=C2)O)O

Technology Process of 4-(4-Hydroxycyclohexyl)phenol

There total 2 articles about 4-(4-Hydroxycyclohexyl)phenol 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: 90.0%

4-(4-hydroxyphenyl)cyclohexan-1-one (105640-07-1) → cis-4-(4'-hydroxycyclohexyl)phenol (370860-74-5)

Guidance literature:

With L-Selectride; In tetrahydrofuran; at -78 - 20 ℃; for 12h;

DOI:10.1002/chem.201703206

Reference yield: 10.0%

4-(4-hydroxyphenyl)cyclohexan-1-one (105640-07-1) → cis-4-(4'-hydroxycyclohexyl)phenol (370860-74-5) + trans-4,4'-dihydroxy-cyclohexylbenzene (65132-43-6)

Guidance literature:

With methanol; sodium tetrahydroborate; for 0.5h;

Reference yield: 100.0%

cis-4-(4'-hydroxycyclohexyl)phenol (370860-74-5) + methanesulfonyl chloride (124-63-0) → C14H20O6S2 (370860-75-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.0333333h;

upstream raw materials:

4-(4-hydroxyphenyl)cyclohexan-1-one

Downstream raw materials:

C₁₄H₂₀O₆S₂

Refernces

• 1、 Garg, Gaurav,Forsberg, Leah K.,Zhao, Huiping,Blagg, Brian S. J.. "Development of Phenyl Cyclohexylcarboxamides as a Novel Class of Hsp90 C-terminal Inhibitors". . p. 16574 - 16585. Retrieved 2017/11/13.
• 2、 -. "Cyclohexylamine derivative as subtype selective nmda receptor antagonists". Page 10. . Retrieved 2010/02/06.