3-(3-FLUOROPHENYL)-2-PROPENAMIDE PREDO&

Base Information

• Chemical Name: 3-(3-FLUOROPHENYL)-2-PROPENAMIDE PREDO&
• CAS No.: 64379-96-0
• Molecular Formula: C9H8 F N O
• Molecular Weight: 165.167
• Hs Code.: 2924299090
• Mol file: 64379-96-0.mol

Synonyms:3-(3-FLUOROPHENYL)-2-PROPENAMIDE PREDO&;3-(3-fluorophenyl)-2-propenamide, predominantly trans

Chemical Property of 3-(3-FLUOROPHENYL)-2-PROPENAMIDE PREDO&

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

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• 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:

Technology Process of 3-(3-FLUOROPHENYL)-2-PROPENAMIDE PREDO&

There total 5 articles about 3-(3-FLUOROPHENYL)-2-PROPENAMIDE PREDO& 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%

carbon monoxide (201230-82-2) + 1-ethynyl-3-fluoro-benzene (2561-17-3) → (E)-3-(3-Fluoro-phenyl)-acrylamide (64379-96-0) + 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:

(E)-3-(3-fluorophenyl)acryloyl chloride (13565-05-4) → (E)-3-(3-fluorophenyl)acrylamide (64379-96-0)

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:

1-Fluoro-3-iodobenzene (1121-86-4) + 2-propenamide (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) → (E)-3-(3-fluorophenyl)acrylamide (64379-96-0)

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

upstream raw materials:

carbon monoxide

1-ethynyl-3-fluoro-benzene

1-Fluoro-3-iodobenzene

2-propenamide

Downstream raw materials:

diethyl biphenyl-4,4'-dicarboxylate

3-(3-fluorophenyl)-propan-1-amine

Refernces

• 1、 Wood, Alexander J. L.,Weise, Nicholas J.,Frampton, Joseph D.,Dunstan, Mark S.,Hollas, Michael A.,Derrington, Sasha R.,Lloyd, Richard C.,Quaglia, Daniela,Parmeggiani, Fabio,Leys, David,Turner, Nicholas J.,Flitsch, Sabine L.. "Adenylation Activity of Carboxylic Acid Reductases Enables the Synthesis of Amides". supporting information. p. 14498 - 14501. Retrieved 2017/10/18.
• 2、 Bernini, Roberta,Cacchi, Sandro,De Salve, Ilse,Fabrizi, Giancarlo. "The Heck reaction of β-arylacrylamides: An approach to 4-aryl-2-quinolones". . p. 2947 - 2952. Retrieved 2008/02/12.