3-(3-Fluorophenyl)-2-propenamide, predominantly trans

Base Information

Chemical Name:3-(3-Fluorophenyl)-2-propenamide, predominantly trans
CAS No.:64379-96-0
Molecular Formula:C9H8 F N O
Molecular Weight:165.167
Hs Code.:2924299090
European Community (EC) Number:622-118-7
Wikidata:Q76511216
Mol file:64379-96-0.mol

Synonyms:64379-96-0;3-(3-Fluorophenyl)-2-propenamide, predominantly trans;(E)-3-(3-fluorophenyl)prop-2-enamide;3-(3-Fluorophenyl)-2-propenamide,predominantly trans;3-(3-FLUOROPHENYL)-2-PROPENAMIDE;AKOS008937803;3-(3-Fluorophenyl)-2-propenamide, predominantly trans, 96%

Suppliers and Price of 3-(3-Fluorophenyl)-2-propenamide, predominantly trans

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

Sigma-Aldrich
3-(3-Fluorophenyl)-2-propenamide, predominantly trans 96%
1g
$ 69.10

American Custom Chemicals Corporation
3-(3-FLUOROPHENYL)-2-PROPENAMIDE 95.00%
10G
$ 1469.85

American Custom Chemicals Corporation
3-(3-FLUOROPHENYL)-2-PROPENAMIDE 95.00%
1G
$ 671.25

AK Scientific
3-(3-Fluorophenyl)-2-propenamide, predominantly trans
1g
$ 137.00

Total 5 raw suppliers

Chemical Property of 3-(3-Fluorophenyl)-2-propenamide, predominantly trans

Chemical Property:

Vapor Pressure:5.37E-05mmHg at 25°C
Melting Point:124-128 °C
Refractive Index:1.59
Boiling Point:347.5°C at 760 mmHg
Flash Point:164°C
PSA：43.09000
Density:1.219g/cm³
LogP:2.02450
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:165.058992041
Heavy Atom Count:12
Complexity:191

Purity/Quality:

98%Min ^*data from raw suppliers

3-(3-Fluorophenyl)-2-propenamide, predominantly trans 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-(3-Fluorophenyl)-2-propenamide, predominantly trans

There total 5 articles about 3-(3-Fluorophenyl)-2-propenamide, predominantly trans 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: 62.0%

: 201230-82-2
carbon monoxide

: 2561-17-3
1-ethynyl-3-fluoro-benzene

: 64379-96-0
(E)-3-(3-Fluoro-phenyl)-acrylamide

: 2-(3-fluorophenyl)acrylamide

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; ammonium chloride; bis[2-(diphenylphosphino)phenyl] ether; at 60 ℃; for 24h; under 15201 Torr; regioselective reaction; Glovebox; Schlenk technique; Autoclave;
DOI:10.1021/acs.joc.8b01405

Reference yield:

: 13565-05-4
(E)-3-(3-fluorophenyl)acryloyl chloride

: 64379-96-0
(E)-3-(3-fluorophenyl)acrylamide

Guidance literature:: With ammonium hydroxide; In diethyl ether; water; at 20 ℃; for 18h; Inert atmosphere;
DOI:10.1016/j.bmcl.2012.08.046

Reference yield:

: 1121-86-4
1-Fluoro-3-iodobenzene

: 79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5
2-propenamide

: 64379-96-0
(E)-3-(3-fluorophenyl)acrylamide

Guidance literature:: With triethylamine; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); In acetonitrile; at 100 ℃;
DOI:10.1055/s-2006-951505