2-Benzylbutane-1,4-diol

Base Information

Chemical Name:2-Benzylbutane-1,4-diol
CAS No.:97677-83-3
Molecular Formula:C11H16O2
Molecular Weight:180.247
Hs Code.:
DSSTox Substance ID:DTXSID60540533
Nikkaji Number:J803.769H

Synonyms:2-BENZYLBUTANE-1,4-DIOL;2-Benzyl-1,4-butanediol;97677-83-3;SCHEMBL7906029;DTXSID60540533;MZSIQTVSNURLNU-UHFFFAOYSA-N

Suppliers and Price of 2-Benzylbutane-1,4-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 2-Benzylbutane-1,4-diol

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:119

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(CCO)CO

Technology Process of 2-Benzylbutane-1,4-diol

There total 8 articles about 2-Benzylbutane-1,4-diol 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: 74.0%

: 68975-07-5,68975-13-3,68975-14-4,61129-28-0
3-benzyltetrahydrofuran-2-one

: 97677-83-3
(2RS)-benzyl-1,4-butanediol

Guidance literature:: With Cp*RuCl(2-C₅H₄CH₂NH₂); potassium tert-butylate; hydrogen; In isopropyl alcohol; at 100 ℃; for 15h; under 37503.8 Torr; Autoclave;
DOI:10.1021/ja1117254

Reference yield:

: 300-57-2,57807-91-7
allylbenzene

: 97-93-8
triethylaluminum

: 97677-83-3
(2RS)-benzyl-1,4-butanediol

: 56640-48-3
(R)-2-(phenylmethyl)butanol

: 170899-02-2
(2S)-2-Benzyl-1-butanol

Guidance literature:: allylbenzene; triethylaluminum; With bis(1-(-)-neomenthylindenyl)zirconium dichloride; In dichloromethane; at 20 - 25 ℃; for 24h; Inert atmosphere; Schlenk technique;

With oxygen; In dichloromethane; at 0 ℃; for 26h; enantioselective reaction;
DOI:10.1016/j.tetasy.2014.11.019