2-Benzyl-3-butenoic acid

Base Information

Chemical Name:2-Benzyl-3-butenoic acid
CAS No.:114779-92-9
Molecular Formula:C11H12O2
Molecular Weight:176.215
Hs Code.:
DSSTox Substance ID:DTXSID101305533
Nikkaji Number:J959.846D

Synonyms:2-Benzyl-3-butenoic acid;2-benzylbut-3-eneoic acid;SCHEMBL2928010;alpha-Ethenylbenzenepropanoic acid;MNZZWRMTHMXOND-UHFFFAOYSA-N;DTXSID101305533;114779-92-9

Suppliers and Price of 2-Benzyl-3-butenoic acid

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-Benzyl-3-butenoic acid

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:176.083729621
Heavy Atom Count:13
Complexity:181

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC(CC1=CC=CC=C1)C(=O)O

Technology Process of 2-Benzyl-3-butenoic acid

There total 19 articles about 2-Benzyl-3-butenoic acid 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: 98.0%

: 139592-86-2
methyl 2-benzylbut-3-enoate

: 114779-92-9
rac-2-benzyl-3-butenoic acid

Guidance literature:: With Novozym 435; In aq. phosphate buffer; acetone; at 20 ℃; for 24h; pH=7.4; Enzymatic reaction;
DOI:10.1016/j.catcom.2018.05.020

Reference yield: 72.0%

: 3724-65-0
2-butenoic acid

: 100-44-7
benzyl chloride

: 114779-92-9
rac-2-benzyl-3-butenoic acid

Guidance literature:: 2-butenoic acid; With n-butyllithium; diethylamine; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.666667h;

benzyl chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1.66667h;
DOI:10.1021/acs.joc.8b00807

Reference yield: 68.0%

: 625-38-7
but-3-enoic acid

: 100-39-0
benzyl bromide

: 114779-92-9
rac-2-benzyl-3-butenoic acid

Guidance literature:: but-3-enoic acid; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at 0 ℃; for 0.75h; Inert atmosphere;

benzyl bromide; In tetrahydrofuran; at 0 - 20 ℃; for 2.5h; Inert atmosphere;
DOI:10.1021/jo802322s