2-Chloro-3-phenylpropanamide

Base Information

• Chemical Name: 2-Chloro-3-phenylpropanamide
• CAS No.: 18166-56-8
• Molecular Formula: C9H10ClNO
• Molecular Weight: 183.637
• NSC Number: 122562
• DSSTox Substance ID: DTXSID60298325
• Nikkaji Number: J3.598.320A
• Mol file: 18166-56-8.mol

Synonyms:18166-56-8;2-chloro-3-phenylpropanamide;NSC122562;SCHEMBL5763729;DTXSID60298325;AKOS011508512;NSC-122562

Chemical Property of 2-Chloro-3-phenylpropanamide

Chemical Property:

• Vapor Pressure: 1.46E-05mmHg at 25°C
• Boiling Point: 366.5°C at 760 mmHg
• Flash Point: 175.5°C
• Density: 1.213g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-phenylpropanamide

There total 9 articles about 2-Chloro-3-phenylpropanamide 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: 11.0%

benzenediazonium tetrafluoroborate (369-57-3) + 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) → α-chloro-β-phenylpropionamide (18166-56-8) + chlorobenzene (108-90-7)

Guidance literature:

With copper(II) bis(tetrafluoroborate); sodium chloride; In water; acetone; at 18 - 22 ℃; for 2.5h;

Reference yield:

2-chloro-3-phenylpropionic acid (7474-06-8,41998-38-3,94347-44-1,20334-70-7) → α-chloro-β-phenylpropionamide (18166-56-8)

Guidance literature:

DOI:10.1016/S0040-4020(01)99005-2

Reference yield:

2-chloro-3-phenylpropanoic acid chloride (81136-10-9,120710-94-3,120710-95-4,54468-36-9) → α-chloro-β-phenylpropionamide (18166-56-8)

Guidance literature:

With ammonia;

DOI:10.1021/ja00904a021

upstream raw materials:

2-chloro-3-phenylpropionitrile

2-chloro-3-phenylpropionic acid

benzenediazonium tetrafluoroborate

2-propenamide

Downstream raw materials:

cinnamamide

2-chloro-3-phenylpropionic acid

DL-N-Brom-α-chlor-hydrozimtsaeure-amid

DL-1-Chlor-1-brom-2-phenyl-ethan