Methyl 3-phenyl-but-2-enoate

Base Information

Chemical Name:Methyl 3-phenyl-but-2-enoate
CAS No.:5440-87-9
Molecular Formula:C₁₁H₁₂O₂
Molecular Weight:176.215
Hs Code.:
NSC Number:20768
DSSTox Substance ID:DTXSID80418705
Nikkaji Number:J565.196D,J88.421I
Wikidata:Q82229344

Synonyms:NSC20768;26423-89-2;Methyl 3-phenyl-but-2-enoate;5440-87-9;SCHEMBL10830070;DTXSID80418705;METHYL BETA-METHYLCINNAMATE;TYXHBFGDAZRKNT-HJWRWDBZSA-N;NSC-20768;AKOS017417062;3-Phenyl-2-butenoic acid methyl ester;Methyl (2Z)-3-phenyl-2-butenoate #;(Z)-3-Phenyl-2-butenoic acid methyl ester;METHYL (2Z)-3-PHENYLBUT-2-ENOATE;EN300-1459506

Suppliers and Price of Methyl 3-phenyl-but-2-enoate

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 Methyl 3-phenyl-but-2-enoate

Chemical Property:

Vapor Pressure:0.0147mmHg at 25°C
Boiling Point:257.2°Cat760mmHg
Flash Point:135.3°C
Density:1.034g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:176.083729621
Heavy Atom Count:13
Complexity:200

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-phenyl-but-2-enoate

There total 24 articles about Methyl 3-phenyl-but-2-enoate 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: 94.0%

: 1029612-18-7
(Z)-methyl 3-(p-toluenesulfonyloxy)but-2-enoate

: 100-58-3
phenylmagnesium bromide

: 3461-50-5,5440-87-9,26423-89-2
methyl (Z)-3-phenyl-but-2-enoate

Guidance literature:: phenylmagnesium bromide; With zinc(II) chloride; In tetrahydrofuran; at 0 - 5 ℃; Inert atmosphere;

(Z)-methyl 3-(p-toluenesulfonyloxy)but-2-enoate; With bis(triphenylphosphine)palladium(II) dichloride; In tetrahydrofuran; at 20 - 25 ℃; for 1h; Inert atmosphere;
DOI:10.1021/ol800480d

Reference yield: 92.0%

: 917-64-6
methyl magnesium iodide

: 103-26-4,1754-62-7
Methyl cinnamate

: 3461-50-5,5440-87-9,26423-89-2
methyl (Z)-3-phenyl-but-2-enoate

Guidance literature:: With copper(l) iodide; chloro-trimethyl-silane; lithium chloride; In tetrahydrofuran; at 0 ℃; for 0.5h;
DOI:10.1016/0022-328X(95)05699-P

Reference yield: 87.0%

: 1029612-18-7
(Z)-methyl 3-(p-toluenesulfonyloxy)but-2-enoate

: 28557-00-8
phenylzinc chloride

: 3461-50-5,5440-87-9,26423-89-2
methyl (Z)-3-phenyl-but-2-enoate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 - 25 ℃; for 2h;
DOI:10.1002/0471264229.os094.08