1-Phenyl-2-pentanol

Base Information

• Chemical Name: 1-Phenyl-2-pentanol
• CAS No.: 705-73-7
• Deprecated CAS: 116724-04-0
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• European Community (EC) Number: 211-887-0
• UNII: 8917UGK95X
• DSSTox Substance ID: DTXSID6052451
• Nikkaji Number: J193.073G
• Wikidata: Q27269971
• Metabolomics Workbench ID: 44997
• Mol file: 705-73-7.mol

Synonyms:1-Phenyl-2-pentanol;1-phenylpentan-2-ol;705-73-7;2-Hydroxy-1-phenylpentane;DL-1-Phenylpentan-2-ol;Benzylbutyl alcohol;Benzylpropylcarbinol;alpha-Propylphenethyl alcohol;alpha-Propylbenzeneethanol;Benzeneethanol, alpha-propyl-;BENZENEETHANOL, .ALPHA.-PROPYL-;FEMA No. 2953;1-phenyl-pentan-2-ol;UNII-8917UGK95X;Phenethyl alcohol, alpha-propyl-;8917UGK95X;Phenethyl alcohol, .alpha.-propyl-;EINECS 211-887-0;Benzeneethanol, a-propyl-;Benzeneethanol, ?-propyl-;a-Propylphenethyl alcohol;1-Phenyl-2-pentanol #;alpha-Propyl-Benzeneethanol;a-Propylbenzeneethanol, 9CI;alpha-Propyl-Phenethyl alcohol;SCHEMBL107253;(+/-)-1-phenyl-2-pentanol;DTXSID6052451;FCURFTSXOIATDW-UHFFFAOYSA-;FEMA 2953;CHEBI:171996;MFCD00004580;AKOS010016531;DL - 1 - phenylpentan - 2 - ol;.ALPHA.-PROPYLPHENETHYL ALCOHOL;EN300-7795471;A836922;Q27269971;116724-04-0

Chemical Property of 1-Phenyl-2-pentanol

Chemical Property:

• Vapor Pressure: 0.0108mmHg at 25°C
• Boiling Point: 251.3°C at 760 mmHg
• PKA: 15.24±0.20(Predicted)
• Flash Point: 105°C
• PSA: 20.23000
• Density: 0.968g/cm³
• LogP: 2.39010
• Solubility.: Chloroform, DCM, Ethyl Acetate, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-1-phenylpentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC1=CC=CC=C1)O
• Uses: 2-Hydroxy-1-phenylpentane is an impurity of Prolintane (P756100) synthesis.

Technology Process of 1-Phenyl-2-pentanol

There total 18 articles about 1-Phenyl-2-pentanol 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: 96.0%

1,2-epoxy-3-phenylpropane (4436-24-2) + sodium tetraethylaluminate (2397-68-4) → 1-phenyl-2-pentanol (705-73-7)

Guidance literature:

nickel dibromide; In hexane; at 35 ℃; for 0.25h;

DOI:10.1016/0040-4020(80)88033-1

Reference yield: 86.0%

benzyl chloride (100-44-7) + butyraldehyde (123-72-8) → 1-phenyl-2-pentanol (705-73-7)

Guidance literature:

benzyl chloride; With magnesium; In diethyl ether;

butyraldehyde; In diethyl ether; at 20 ℃; for 2h;

DOI:10.1081/SCC-200048399

Reference yield: 68.0%

1-(dimethyl(oxo)-λ6-sulfanylidene)-1-phenylpentan-2-one → 1-phenyl-2-pentanol (705-73-7)

Guidance literature:

With water; isopropyl alcohol; for 3h; Reflux;

DOI:10.1021/acs.orglett.8b03126

upstream raw materials:

1-phenylpentan-2-one

phenylmagnesium bromide

butyraldehyde

benzylmagnesium chloride

Downstream raw materials:

1-phenylpentan-2-one

1-benzylbutyl tosylate

O-1-benzylbutyl S-methyl dithiocarbonate

RS-(+/-)-1-phenyl-2-aminopentane

Refernces

• 1、 Tao, Lei,Guo, Xueying,Li, Jie,Li, Ruoling,Lin, Zhenyang,Zhao, Wanxiang. "Rhodium-Catalyzed Deoxygenation and Borylation of Ketones: A Combined Experimental and Theoretical Investigation". supporting information. p. 18118 - 18127. Retrieved 2020/11/26.
• 2、 Talero, Alexánder Garay,Martins, Bruna Sim?es,Burtoloso, Antonio C. B.. "Coupling of Sulfoxonium Ylides with Arynes: A Direct Synthesis of Pro-Chiral Aryl Ketosulfoxonium Ylides and Its Application in the Preparation of α-Aryl Ketones". . p. 7206 - 7211. Retrieved 2018/11/23.