Diphenyl-cyclohexyl-methanol

Base Information

• Chemical Name: Diphenyl-cyclohexyl-methanol
• CAS No.: 4404-61-9
• Molecular Formula: C19H22O
• Molecular Weight: 266.383
• European Community (EC) Number: 653-196-0
• NSC Number: 402661,121812
• DSSTox Substance ID: DTXSID00963166
• Nikkaji Number: J1.660.849A
• Wikidata: Q82944981
• ChEMBL ID: CHEMBL117539
• Mol file: 4404-61-9.mol

Synonyms:4404-61-9;Diphenyl-cyclohexyl-methanol;Cyclohexyldiphenylmethanol;Cyclohexyl(diphenyl)methanol;Cyclohexyl-diphenyl-methanol;NSC121812;Cyclohexyl(diphenyl)methanol #;CHEMBL117539;SCHEMBL2238914;DTXSID00963166;LRWTTZKTXXYPNP-UHFFFAOYSA-N;NSC402661;AKOS024323819;NSC-121812;NSC-402661

Chemical Property of Diphenyl-cyclohexyl-methanol

Chemical Property:

• Vapor Pressure: 1.33E-07mmHg at 25°C
• Boiling Point: 414.2°C at 760 mmHg
• Flash Point: 162.8°C
• Density: 1.081g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 266.167065321
• Heavy Atom Count: 20
• Complexity: 262

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Technology Process of Diphenyl-cyclohexyl-methanol

There total 35 articles about Diphenyl-cyclohexyl-methanol 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: 98.4%

bromobenzene (108-86-1,52753-63-6) + methyl cyclohexylcarboxylate (4630-82-4) → cyclohexyldiphenylmethanol (4404-61-9)

Guidance literature:

bromobenzene; With cis-Octadecenoic acid; sodium; In toluene; at 30 - 40 ℃; for 2h; Inert atmosphere;

methyl cyclohexylcarboxylate; In toluene; at 40 ℃; for 2h; Inert atmosphere;

Reference yield: 97.8%

methyl cyclohexylcarboxylate (4630-82-4) + chlorobenzene (108-90-7) → cyclohexyldiphenylmethanol (4404-61-9)

Guidance literature:

chlorobenzene; With cis-Octadecenoic acid; sodium; In toluene; at 30 - 40 ℃; for 2h; Inert atmosphere;

methyl cyclohexylcarboxylate; In toluene; at 25 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;

Reference yield: 81.0%

Cyclohexyl phenyl ketone (712-50-5) + phenylboronic acid (98-80-6) → cyclohexyldiphenylmethanol (4404-61-9)

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 30 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201104588

upstream raw materials:

benzophenone

cyclohexylmagnesiumchloride

cyclohexanecarboxylic acid allyl ester

ethyl cyclohexanecarboxylate

Downstream raw materials:

C₂₂H₂₇NO₂S

(cyclohexylmethylene)dibenzene

1,1-diphenylmethylenecyclohexane

chloro-cyclohexyl-diphenyl-methane

Refernces

• 1、 -. "Synthesis method of diphenylcyclohexylcarbinol". Paragraph 0047; 0048; 0049; 0050-0063; 0071-0103. . Retrieved 2019/01/08.
• 2、 Hatano, Manabu,Suzuki, Shinji,Ishihara, Kazuaki. "Highly efficient alkylation to ketones and aldimines with Grignard reagents catalyzed by zinc(II) chloride". . p. 9998 - 9999. Retrieved 2007/10/03.