N-(4-Chlorophenyl)acrylamide

Base Information

• Chemical Name: N-(4-Chlorophenyl)acrylamide
• CAS No.: 5453-48-5
• Molecular Formula: C9H8 Cl N O
• Molecular Weight: 181.622
• Hs Code.: 2924299090
• European Community (EC) Number: 801-742-5
• NSC Number: 18608
• DSSTox Substance ID: DTXSID10280790
• Wikidata: Q82014382
• Mol file: 5453-48-5.mol

Synonyms:N-(4-Chlorophenyl)acrylamide;5453-48-5;n-(4-chlorophenyl)prop-2-enamide;NSC18608;N-p-chlorophenyl acrylamide;N-(p-chlorophenyl)acrylamide;N-(4-chlorophenyl)-acrylamide;SCHEMBL1381911;DTXSID10280790;MFCD00045201;NSC 18608;NSC-18608;AKOS003287443;AM87053;VS-0091;CS-0158051;FT-0635727;EN300-179032;N11713;Z440633664

Chemical Property of N-(4-Chlorophenyl)acrylamide

Chemical Property:

• Vapor Pressure: 9.63E-05mmHg at 25°C
• Boiling Point: 338.7°Cat760mmHg
• Flash Point: 158.7°C
• PSA: 29.10000
• Density: 1.243g/cm³
• LogP: 2.53750
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 181.0294416
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

N-(4-chlorophenyl)prop-2-enamide ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)NC1=CC=C(C=C1)Cl

Technology Process of N-(4-Chlorophenyl)acrylamide

There total 8 articles about N-(4-Chlorophenyl)acrylamide 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: 93.0%

N-(4-chlorophenyl)-3-(phenylsulfonyl)propanamide (340011-45-2) → N-(4-chlorophenyl)acrylamide (5453-48-5)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1002/jccs.200100016

Reference yield: 92.0%

3-Bromopropionic acid (590-92-1) + 4-chloro-aniline (106-47-8) → N-(4-chlorophenyl)acrylamide (5453-48-5)

Guidance literature:

Multistep reaction;

DOI:10.1081/SCC-120022176

Reference yield: 71.0%

4-chlorobenzonitrile (100-00-5) + ethyl acrylate (140-88-5,9003-32-1) → N-(4-chlorophenyl)acrylamide (5453-48-5)

Guidance literature:

4-chlorobenzonitrile; With samarium diiodide; In tetrahydrofuran; at 20 ℃; for 0.166667h;

ethyl acrylate; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/jccs.200500133

upstream raw materials:

N-methoxy-N-phenylacrylamide

N-(4-chlorophenyl)-3-(phenylsulfonyl)propanamide

3-Bromopropionic acid

4-chloro-aniline

Downstream raw materials:

N-(4-Chloro-phenyl)-3-(4-pyridin-2-yl-piperazin-1-yl)-propionamide

1,4,5,6,7,7-Hexabromo-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (4-chloro-phenyl)-amide

N-allyl N-(4-chlorophenyl)acrylamide