1-(3-Fluorophenyl)cyclohexanol

Base Information

• Chemical Name: 1-(3-Fluorophenyl)cyclohexanol
• CAS No.: 1496-35-1
• Molecular Formula: C12H15FO
• Molecular Weight: 194.249
• Hs Code.: 2906290090
• European Community (EC) Number: 831-220-2
• Mol file: 1496-35-1.mol

Synonyms:1-(3-Fluorophenyl)cyclohexanol;1496-35-1;1-(3-fluorophenyl)cyclohexan-1-ol;MFCD00218768;Maybridge3_000692;HMS1432P10;BAA49635;Cyclohexanol, 1-(3-fluorophenyl)-;CCG-44857;AKOS010010430;IDI1_012079;AS-32568;SY027682;CS-0204957;FT-0704150;EN300-320008;SR-01000634665-1;Z513695510

Chemical Property of 1-(3-Fluorophenyl)cyclohexanol

Chemical Property:

• Boiling Point: 299.9±23.0 °C(Predicted)
• PKA: 14.22±0.20(Predicted)
• PSA: 20.23000
• Density: 1.140±0.06 g/cm3(Predicted)
• LogP: 2.97740
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.110693260
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Fluorophenyl)Cyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC(=CC=C2)F)O

Technology Process of 1-(3-Fluorophenyl)cyclohexanol

There total 2 articles about 1-(3-Fluorophenyl)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: 72.0%

3-fluorobromobenzene (1073-06-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(3-fluorophenyl)cyclohexanol (1496-35-1)

Guidance literature:

With bismuth(III) chloride; silver(I) bromide; magnesium; copper(ll) bromide; In tetrahydrofuran; toluene; at 96 ℃; for 12h; Reagent/catalyst;

DOI:10.1002/adsc.201500743

Reference yield:

bromo(3-fluorophenyl)magnesium (17318-03-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(3-fluorophenyl)cyclohexanol (1496-35-1)

Guidance literature:

DOI:10.1039/jr9630000518

Reference yield: 82.0%

1-(3-fluorophenyl)cyclohexanol (1496-35-1) → 6-bromo-1-(3-fluorophenyl)hexan-1-one

Guidance literature:

With [bis(acetoxy)iodo]benzene; sodium bromide; In acetonitrile; at 20 ℃; for 10h; Inert atmosphere; Irradiation;

DOI:10.1039/d0cc01720e

upstream raw materials:

3-fluorobromobenzene

cyclohexanone

bromo(3-fluorophenyl)magnesium

Downstream raw materials:

1-cyclohex-1-en-1-yl-3-fluorobenzene

1-(3-fluorophenyl)cyclohexanamine

1-cyclohexyl-3-fluorobenzene

3-fluorobenzoic acid

Refernces

• 1、 Thurkauf, Andrew,Costa, Brian de,Yamaguchi, Shun-ichi,Mattson, Mariena V.,Jacobson, Arthur E.,et al.. "Synthesis and Anticonvulsant Activity of 1-Phenylcyclohexylamine Analogues". . p. 1452 - 1458. Retrieved 2007/10/02.