Benzyl crotonate

Base Information

Chemical Name:Benzyl crotonate
CAS No.:65416-24-2
Molecular Formula:C₁₁H₁₂O₂
Molecular Weight:176.215
Hs Code.:2916190090
NSC Number:53951
UNII:KRO4207GE6
DSSTox Substance ID:DTXSID10887884
Nikkaji Number:J155.181G,J183.089I
Wikidata:Q27282395
Mol file:65416-24-2.mol

Synonyms:71338-71-1;Benzyl crotonate;benzyl (E)-but-2-enoate;Crotonic acid benzyl ester;Benzyl (2E)-but-2-enoate;Benzyl crotonate, (E)-;(E)-benzyl but-2-enoate;2-Butenoic acid, phenylmethyl ester, (2E)-;UNII-IIG3KVS651;UNII-KRO4207GE6;KRO4207GE6;EINECS 265-764-1;AI3-04112;2-Butenoic acid, phenylmethyl ester, (E)-;Benzylbut-2-enoate;(E)-benzyl crotonate;Benzyl(2E)-but-2-enoate;IIG3KVS651;BENZYL (E)-CROTONATE;BENZYL TRANS-CROTONATE;Benzyl (2E)-2-butenoate #;phenylmethyl (E)-but-2-enoate;SCHEMBL1070423;SCHEMBL1070426;BENZYL (E)-2-BUTENOATE;NCPTYZLUYHXITE-QHHAFSJGSA-;DTXSID10887884;(phenylmethyl) (E)-but-2-enoate;NSC53951;MFCD00053764;NSC 53951;NSC-53951;AKOS006241251;WS-00524;(E)-2-butenoic acid (phenylmethyl) ester;CS-0046880;W15659;W18720;EN300-1696941;A835109;Q27282395;InChI=1/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2+

Suppliers and Price of Benzyl crotonate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
BENZYL CROTONATE 95.00%
25G
$ 1309.77

Total 13 raw suppliers

Chemical Property of Benzyl crotonate

Chemical Property:

Vapor Pressure:0.0213mmHg at 25°C
Melting Point:112 °C (decomp)
Boiling Point:250.7 °C at 760 mmHg
Flash Point:128.2 °C
PSA：26.30000
Density:1.043 g/cm³
LogP:2.30590
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:176.083729621
Heavy Atom Count:13
Complexity:179

Purity/Quality:

99% ^*data from raw suppliers

BENZYL CROTONATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC(=O)OCC1=CC=CC=C1
Isomeric SMILES:C/C=C/C(=O)OCC1=CC=CC=C1

Technology Process of Benzyl crotonate

There total 10 articles about Benzyl crotonate 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: 91.0%

: 623-43-8,4358-59-2,18707-60-3,130981-57-6
methyl crotonate

: 100-51-6,185532-71-2
benzyl alcohol

: 71338-71-1,92758-75-3,65416-24-2
benzyl crotonate

Guidance literature:: With dmap; oxo[hexa(trifluoroacetato)]tetrazinc; In toluene; at 120 ℃; for 5h; chemoselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1002/ejoc.201600737

Reference yield: 88.0%

: 1202041-34-6
benzyl 2-(2-nitrophenylsulfinyl)butanoate

: 71338-71-1,92758-75-3,65416-24-2
benzyl crotonate

Guidance literature:: With sodium acetate; In toluene; at 110 ℃;

Reference yield: 83.0%

: 1231734-97-6
benzyl α-ethyldiazoacetate

: 62-53-3
aniline

: (+)-benzyl 2-(phenylamino)butanoate

: 71338-71-1,92758-75-3,65416-24-2
benzyl crotonate

Guidance literature:: With tetrakis(actonitrile)copper(I) hexafluorophosphate; C₃₅H₃₀N₂O₂; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In dichloromethane; at 25 ℃; for 2h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1021/ja2084493