2-Phenethylbenzyl alcohol

Base Information

• Chemical Name: 2-Phenethylbenzyl alcohol
• CAS No.: 835-78-9
• Molecular Formula: C15H16O
• Molecular Weight: 212.291
• Hs Code.: 2906299090
• European Community (EC) Number: 212-644-1
• NSC Number: 97450
• UNII: P26YX6E7FY
• DSSTox Substance ID: DTXSID50232410
• Nikkaji Number: J195.107F
• Mol file: 835-78-9.mol

Synonyms:2-Phenethylbenzyl alcohol;835-78-9;(2-phenethylphenyl)methanol;o-Phenethylbenzyl alcohol;[2-(2-Phenylethyl)phenyl]methanol;Benzenemethanol, 2-(2-phenylethyl)-;2-PHENETHYLBENZYLALCOHOL;P26YX6E7FY;EINECS 212-644-1;NSC 97450;NSC-97450;(2-(2-PHENYLETHYL)PHENYL)METHANOL;2-Phenethylbenzenemethanol;UNII-P26YX6E7FY;SODIUMPERBORATEHYDRATE;SCHEMBL698588;2-Phenethylbenzyl alcohol, 98%;DAlc2-H_000042;DTXSID50232410;NSC97450;BENZYL ALCOHOL, O-PHENETHYL-;MFCD00004628;[2-(2-Phenylethyl)phenyl]methanol #;AKOS015913614;2-(2-PHENYLETHYL)BENZENEMETHANOL;TS-00436;CS-0362834;FT-0705783

Chemical Property of 2-Phenethylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 6.53E-05mmHg at 25°C
• Melting Point: 56-59 °C(lit.)
• Refractive Index: 1.593
• Boiling Point: 330.7 °C at 760 mmHg
• Flash Point: 136.3 °C
• PSA: 20.23000
• Density: 1.078 g/cm³
• LogP: 2.96410
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 212.120115130
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

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

2-Phenethylbenzyl alcohol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=CC=C2CO
• Uses: 2-Phenethylbenzyl alcohol was used to prepare reagent required during the synthesis of non-symmetric cyclic sulfamide HIV-1 protease inhibitors.

Technology Process of 2-Phenethylbenzyl alcohol

There total 5 articles about 2-Phenethylbenzyl alcohol 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%

o-phenethylbenzoic acid (4890-85-1) → [2-(2-phenylethyl)phenyl]methanol (835-78-9)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/S0040-4020(97)00338-4

Reference yield: 77.0%

benzyl bromide (100-39-0) + (2-(bromomethyl)phenyl)methanol (74785-02-7) → [2-(2-phenylethyl)phenyl]methanol (835-78-9)

Guidance literature:

With dimanganese decacarbonyl; In dichloromethane; UV-irradiation;

DOI:10.1080/00397919908086433

Reference yield: 70.0%

methyl 2-(2-phenylethyl)benzoate (194605-53-3) → [2-(2-phenylethyl)phenyl]methanol (835-78-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h; Heating;

upstream raw materials:

ethyl 2-phenethylbenzoate

o-phenethylbenzoic acid

methyl 2-(2-phenylethyl)benzoate

benzyl bromide

Downstream raw materials:

1',3'-dimethyl-3-phenyl-3,4-dihydro-1H,1'H-spiro[naphthalene-2,5'-pyrimidine]-2',4',6'(3'H)-trione

1,3-dimethyl-5-(2-phenethylbenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Refernces

• 1、 Mori, Keiji,Sueoka, Shosaku,Akiyama, Takahiko. "Expeditious construction of a carbobicyclic skeleton via sp3-C-H functionalization: Hydride shift from an aliphatic tertiary position in an internal redox process". supporting information; experimental part. p. 2424 - 2426. Retrieved 2011/04/25.
• 2、 Gilbert, Bruce C.,Lindsay, Chris I.,McGrail, P. Terry,Parsons, Andrew F.,Whittaker, David T.E.. "Efficient radical coupling of organobromides using dimanganese decacarbonyl". . p. 2711 - 2718. Retrieved 2007/10/03.