1-Benzylcyclohexan-1-ol

Base Information

• Chemical Name: 1-Benzylcyclohexan-1-ol
• CAS No.: 1944-01-0
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• Hs Code.: 2906299090
• European Community (EC) Number: 217-740-7
• NSC Number: 406777,113513
• UNII: T5T2GNY756
• DSSTox Substance ID: DTXSID10173072
• Nikkaji Number: J199.760B
• Wikidata: Q83043173
• Mol file: 1944-01-0.mol

Synonyms:1-benzylcyclohexanol;1-Benzylcyclohexan-1-ol;1944-01-0;Cyclohexanol, 1-(phenylmethyl)-;EINECS 217-740-7;NSC-113513;NSC-406777;AI3-05558;benzylcyclohexanol;NSC406777;1-benzyl-cyclohexan-1-ol;Cambridge id 5152534;1-(Phenylmethyl)cyclohexanol;C(c1ccccc1)C2(O)CCCCC2;SCHEMBL2346342;T5T2GNY756;DTXSID10173072;HMS1579A12;MFCD00155242;NSC113513;AKOS003273934;NSC 113513;NSC 406777;LS-07836;BB 0218470;CS-0353540;FT-0735992;Z57479525

Chemical Property of 1-Benzylcyclohexan-1-ol

Chemical Property:

• Vapor Pressure: 0.000516mmHg at 25°C
• Boiling Point: 299.9°Cat760mmHg
• Flash Point: 118.2°C
• PSA: 20.23000
• Density: 1.056g/cm³
• LogP: 2.92430
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(CC2=CC=CC=C2)O

Technology Process of 1-Benzylcyclohexan-1-ol

There total 38 articles about 1-Benzylcyclohexan-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: 90.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + benzyl chloride (100-44-7) → 1-benzylcyclohexan-1-ol (1944-01-0)

Guidance literature:

With lithium; In tetrahydrofuran; at -50 ℃; for 1h;

DOI:10.1016/S0040-4039(96)02393-3

Reference yield: 87.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + benzylmagnesium chloride (6921-34-2) → 1-benzylcyclohexan-1-ol (1944-01-0)

Guidance literature:

In diethyl ether; for 1h; Heating;

Reference yield: 87.0%

(1-benzyl-cyclohexyloxy)-tert-butyl-dimethyl-silane → 1-benzylcyclohexan-1-ol (1944-01-0)

Guidance literature:

With zinc tetrafluoroborate; In water; for 12h; Ambient temperature;

DOI:10.1016/S0040-4039(99)00097-0

upstream raw materials:

cyclohexanone

benzylmagnesium chloride

benzyl chloride

benzyl diethyl phosphate

Downstream raw materials:

diethyl-[2-(1-benzyl-cyclohexyloxy)-ethyl]-amine

[3-(1-Benzyl-cyclohexyloxy)-propyl]-dimethyl-amine

[2-(1-Benzyl-cyclohexyloxy)-ethyl]-diisopropyl-amine

N-(1-Benzyl-cyclohexyl)-formamid

Refernces

• 1、 Liu, Chen,Liu, Yongjun,Qi, Yan,Song, Bin,Wang, Liang,Xiao, Shuhuan. "Samarium-based Grignard-type addition of organohalides to carbonyl compounds under catalysis of CuI". supporting information. p. 6169 - 6172. Retrieved 2021/06/30.
• 2、 Wang, Haining,Dai, Xi-Jie,Li, Chao-Jun. "Aldehydes as alkyl carbanion equivalents for additions to carbonyl compounds". . p. 374 - 378. Retrieved 2017/04/03.