2-Benzylbenzyl alcohol

Base Information

• Chemical Name: 2-Benzylbenzyl alcohol
• CAS No.: 1586-00-1
• Molecular Formula: C14H14 O
• Molecular Weight: 198.265
• Hs Code.: 29062900
• European Community (EC) Number: 216-442-4
• NSC Number: 405651
• UNII: 7GQA3H3HVM
• DSSTox Substance ID: DTXSID40166472
• Nikkaji Number: J102.223G
• Wikidata: Q83035654
• Mol file: 1586-00-1.mol

Synonyms:(2-Benzylphenyl)methanol;2-Benzylbenzyl alcohol;1586-00-1;2-Benzylbenzylalcohol;BENZENEMETHANOL, 2-(PHENYLMETHYL)-;Benzyl alcohol, o-benzyl-;7GQA3H3HVM;[2-(phenylmethyl)phenyl]methanol;EINECS 216-442-4;NSC-405651;NSC405651;o-benzylbenzyl alcohol;C(c1ccccc1)c2ccccc2CO;UNII-7GQA3H3HVM;(2-Benzylphenyl)methanol #;SCHEMBL1773099;BENZYL ALCOHOL IMPURITY I;GTKWHQWJTVWORA-UHFFFAOYSA-;DTXSID40166472;BAA58600;O-HYDROXYMETHYLDIPHENYLMETHANE;AKOS003624859;2-(PHENYLMETHYL)BENZENEMETHANOL;NSC 405651;CS-0227222;FT-0651055;A809945;A1-32330

Chemical Property of 2-Benzylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 2.06E-05mmHg at 25°C
• Melting Point: 37-41 °C
• Refractive Index: 1.5961
• Boiling Point: 154 °C (1 mmHg)
• Flash Point: 144.3°C
• PSA: 20.23000
• Density: 1.085g/cm³
• LogP: 2.76970
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

2-Benzylbenzylalcohol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2CO

Technology Process of 2-Benzylbenzyl alcohol

There total 20 articles about 2-Benzylbenzyl 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: 100.0%

1-phenyl-1,3-dihydro-2-benzofuran (7111-66-2) → 2-(benzyl)benzyl alcohol (1586-00-1)

Guidance literature:

With naphthalene; lithium; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/0040-4039(95)01692-B

Reference yield: 98.0%

2-benzyl-N,N-dimethylbenzamide (40182-23-8) → 2-(benzyl)benzyl alcohol (1586-00-1)

Guidance literature:

With sodium hydride; sodium iodide; zinc(II) iodide; In tetrahydrofuran; mineral oil; at 40 ℃; for 21h; Sealed tube;

DOI:10.1002/anie.201900233

Reference yield: 97.0%

2-Benzylbenzoic acid (612-35-1) → 2-(benzyl)benzyl alcohol (1586-00-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Heating;

DOI:10.1021/jm010354g

upstream raw materials:

2-Benzylbenzoic acid

2-benzyl-benzoic acid methyl ester

2-benzylbenzoic acid ethyl ester

2-(2-Benzyl-benzyloxy)-tetrahydro-pyran

Downstream raw materials:

2-benzylbenzyl bromide

2-Benzylbenzoic acid

1-(chloromethyl)-2-(phenylmethyl)benzene

2-(2-Benzyl-benzylsulfanyl)-ethylamine

Refernces

• 1、 Brasen,Hauser. "-". . p. 4158. Retrieved 1955.
• 2、 Ong, Derek Yiren,Yen, Zhihao,Yoshii, Asami,Revillo Imbernon, Julia,Takita, Ryo,Chiba, Shunsuke. "Controlled Reduction of Carboxamides to Alcohols or Amines by Zinc Hydrides". supporting information. p. 4992 - 4997. Retrieved 2019/03/13.
• 3、 -. "TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE". Paragraph 00609. . Retrieved 2017/03/28.