Cyclohexyl(phenyl)methanol

Base Information

• Chemical Name: Cyclohexyl(phenyl)methanol
• CAS No.: 945-49-3
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• Hs Code.: 2906299090
• NSC Number: 28611
• DSSTox Substance ID: DTXSID30872858
• Nikkaji Number: J41.748C
• Mol file: 945-49-3.mol

Synonyms:Cyclohexyl(phenyl)methanol;945-49-3;Methanol, cyclohexylphenyl-;Cyclohexylphenylmethanol;CYCLOHEXYLPHENYL METHANOL;Cyclohexanemethanol, alpha-phenyl-;NSC 28611;BRN 2048295;Benzenemethanol, alpha-cyclohexyl-;Benzenemethanol, .alpha.-cyclohexyl-;3-06-00-02527 (Beilstein Handbook Reference);NSC28611;Cyclohexylphenylcarbinol;Maybridge1_007599;Cyclohexyl phenyl carbinol;ar-Cyclohexylbenzenemethanol;Benzyl alcohol, cyclohexyl-;Cyclohexylhydroxymethylbenzene;Cyclohexyl(phenyl)methanol #;alpha-cyclohexylbenzyl alcohol;SCHEMBL477416;(+/-) cyclohexylphenylcarbinol;Benzenemethanol, ar-cyclohexyl-;HMS563B09;DTXSID30872858;CCG-45128;MFCD00019357;NSC-28611;STL386383;AKOS009159331;AS-9622;LS-30667;LS-91020;CS-0235725;FT-0600283;EN300-160298;SR-01000634915-1;Z425721992

Chemical Property of Cyclohexyl(phenyl)methanol

Chemical Property:

• Vapor Pressure: 0.000368mmHg at 25°C
• Melting Point: 48℃
• Boiling Point: 305.1°Cat760mmHg
• PKA: 14.36±0.20(Predicted)
• Flash Point: 128.1°C
• PSA: 20.23000
• Density: 1.039g/cm³
• LogP: 3.30030
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexyl(phenyl)methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclohexyl(phenyl)methanol

There total 148 articles about Cyclohexyl(phenyl)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: 99.0%

Cyclohexyl phenyl ketone (712-50-5) → cyclohexylphenylmethanol (945-49-3)

Guidance literature:

With diethoxymethylane; iron(II) acetate; In tetrahydrofuran; at 65 ℃; for 24h;

DOI:10.1016/j.tetlet.2007.11.002

Reference yield: 98.0%

cyclohexanecarbaldehyde (2043-61-0) + phenylboronic acid (98-80-6) → cyclohexylphenylmethanol (945-49-3)

Guidance literature:

With cesium fluoride; bis(η3-allyl-μ-chloropalladium(II)); In 1,4-dioxane; at 80 ℃; for 3h;

DOI:10.1021/jo7020983

Reference yield: 84.0%

2-cyclohexyl-2-phenylacetic acid (3894-09-5,51019-55-7) → Cyclohexyl phenyl ketone (712-50-5) + cyclohexylphenylmethanol (945-49-3)

Guidance literature:

With potassium superoxide; 2-Nitrobenzenesulfonyl chloride; In acetonitrile; at -20 ℃; for 5h;

DOI:10.1016/S0040-4039(97)10706-7

upstream raw materials:

diethyl ether

Cyclohexyl phenyl ketone

cyclohexylmagnesiumchloride

benzyl cyclohexyl ether

Downstream raw materials:

(1-cyclohexyl-4-methylpent-3-enyl)benzene

methyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate

3-Cyclohexyl-3-phenylpropanal

1-cyclohexyl-1-phenylpropane-1,3-diol

Refernces

• 1、 Xi, Zi-Wei,Yang, Lei,Wang, Dan-Yan,Feng, Chuan-Wei,Qin, Yufeng,Shen, Yong-Miao,Pu, Chaodan,Peng, Xiaogang. "Visible Light Induced Reduction and Pinacol Coupling of Aldehydes and Ketones Catalyzed by Core/Shell Quantum Dots". . p. 2474 - 2488. Retrieved 2021/02/05.
• 2、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Manna, Kuntal. "Metal-Organic Framework-Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and Alcohols". supporting information. p. 9029 - 9039. Retrieved 2021/06/28.