Phenethyl 2-methylisocrotonate

Base Information

Chemical Name:Phenethyl 2-methylisocrotonate
CAS No.:61692-79-3
Molecular Formula:C13H16 O2
Molecular Weight:204.269
Hs Code.:2916190090
European Community (EC) Number:262-902-2
DSSTox Substance ID:DTXSID80110055
Nikkaji Number:J279.689I
Wikidata:Q81977106
Metabolomics Workbench ID:47846
Mol file:61692-79-3.mol

Synonyms:Phenethyl 2-methylisocrotonate;beta-Phenethyl angelate;61692-79-3;EINECS 262-902-2;2-PHENYLETHYL (2Z)-2-METHYLBUT-2-ENOATE;Phenyl ethyl tiglate;Benzyl carbinyl tiglate;2-Phenylethanol tiglate;beta -phenylethyl tiglate;SCHEMBL872898;DTXSID80110055;Phenylethyl-alpha -methylbutenoate;Phenylethyl (E)-2-methyl-2-butenoate;(E)-2-Phenylethyl 2-methyl-2-butenoate;2-Phenylethyl (E)-2-methyl-2-butenoate;2-Phenylethyl (2E)-2-methyl-2-butenoate;(Z)-2-Methyl-2-butenoic acid 2-phenylethyl ester;2-Methyl-2-phenylethyl ester(E)-2-Butenoic acid;2-Methyl-2-phenylethyl ester(2E)-2-Butenoic acid;2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (Z)-;2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2Z)-

Suppliers and Price of Phenethyl 2-methylisocrotonate

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

Total 5 raw suppliers

Chemical Property of Phenethyl 2-methylisocrotonate

Chemical Property:

Vapor Pressure:0.000776mmHg at 25°C
Boiling Point:306.3°C at 760 mmHg
Flash Point:167.8°C
PSA：26.30000
Density:1.012g/cm³
LogP:2.73850
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:204.115029749
Heavy Atom Count:15
Complexity:225

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C(C)C(=O)OCCC1=CC=CC=C1
Isomeric SMILES:C/C=C(/C)\C(=O)OCCC1=CC=CC=C1

Technology Process of Phenethyl 2-methylisocrotonate

There total 4 articles about Phenethyl 2-methylisocrotonate 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:

: 3-Brom-angelicasaeure-phenethylester

: 61692-79-3
phenethyl angelate

Guidance literature:: With hydrogen; triethylamine; palladium on activated charcoal;
DOI:10.1021/jo01082a602

Reference yield:

: 35057-99-9
(E)-3-bromo-2-methylbut-2-enoic acid

: 61692-79-3
phenethyl angelate

Guidance literature:: Multi-step reaction with 3 steps

1: PCl₃

3: H₂, Et₃N / Pd-C

With hydrogen; triethylamine; phosphorus trichloride; palladium on activated charcoal;
DOI:10.1021/jo01082a602

Reference yield:

: 66069-77-0
(E)-3-bromo-2-methyl-but-2-enoyl chloride

: 61692-79-3
phenethyl angelate

Guidance literature:: Multi-step reaction with 2 steps

2: H₂, Et₃N / Pd-C

With hydrogen; triethylamine; palladium on activated charcoal;
DOI:10.1021/jo01082a602