(1-Phenylcyclopentyl)methanol

Base Information

• Chemical Name: (1-Phenylcyclopentyl)methanol
• CAS No.: 59115-90-1
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID00974555
• Nikkaji Number: J77.968G
• Wikidata: Q82958938
• Mol file: 59115-90-1.mol

Synonyms:(1-phenylcyclopentyl)methanol;59115-90-1;1-Phenylcyclopentanemethanol;Cyclopentanemethanol, 1-phenyl-;BRN 2088755;4-06-00-03915 (Beilstein Handbook Reference);1-hydroxymethyl-1-phenylcyclopentane;(1-Phenylcylopentyl)methanol;SCHEMBL1152119;(1-Phenyl-cyclopentyl)-methanol;DTXSID00974555;AKOS006281247;AB85907;LS-58028;CS-0454069;EN300-174605;A1-01283;Z1198147620

Chemical Property of (1-Phenylcyclopentyl)methanol

Chemical Property:

• Vapor Pressure: 0.0012mmHg at 25°C
• Boiling Point: 286.8°Cat760mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 123.6°C
• PSA: 20.23000
• Density: 1.037g/cm³
• LogP: 2.49070
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

95%-98% ^*data from raw suppliers

(1-phenylcyclopentyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(CO)C2=CC=CC=C2

Technology Process of (1-Phenylcyclopentyl)methanol

There total 10 articles about (1-Phenylcyclopentyl)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: 93.0%

1-phenyl-1-cyclopentanecarboxylic acid (77-55-4) → 1-hydroxymethyl-1-phenylcyclopentane (59115-90-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 18h; Reflux;

Reference yield: 93.0%

1-phenyl-1-cyclopentanecarboxylic acid methyl ester (4535-96-0) → 1-hydroxymethyl-1-phenylcyclopentane (59115-90-1)

Guidance literature:

With isopropyl alcohol; In hexane; at 0 - 20 ℃; for 0.583333h; Inert atmosphere;

DOI:10.1021/jo501093g

Reference yield: 81.0%

1-ethoxycarbonyl-1-phenylcyclopentane (4535-95-9) → 1-hydroxymethyl-1-phenylcyclopentane (59115-90-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

DOI:10.1002/jhet.5570200524

upstream raw materials:

1-phenylcyclopentanecarboxylic acid chloride

1-ethoxycarbonyl-1-phenylcyclopentane

1-phenyl-1-cyclopentanecarboxylic acid methyl ester

1-phenyl-1-cyclopentanecarboxylic acid

Downstream raw materials:

β-phenyl-β,β-tetramethylenepropionitrile

(1-ethynylcyclopentyl)benzene

1-phenyl-1-cyclopentanecarboxaldehyde

Refernces

• 1、 Cai, Xiao,Keshavarz, Amir,Omaque, Justin D.,Stokes, Benjamin J.. "Br?nsted Acid-Catalyzed Intramolecular Hydroarylation of β-Benzylstyrenes". supporting information. p. 2626 - 2629. Retrieved 2017/05/24.
• 2、 An, Jie,Work, D. Neil,Kenyon, Craig,Procter, David J.. "Evaluating a sodium dispersion reagent for the Bouveault-Blanc reduction of esters". . p. 6743 - 6747. Retrieved 2014/08/05.