3-chloro-N-(2-isopropylphenyl)propanamide

Base Information

• Chemical Name: 3-chloro-N-(2-isopropylphenyl)propanamide
• CAS No.: 560078-34-4
• Molecular Formula: C₁₂H₁₆ClNO
• Molecular Weight: 225.718
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90408854
• Wikidata: Q82214464
• Mol file: 560078-34-4.mol

Synonyms:3-chloro-N-(2-isopropylphenyl)propanamide;560078-34-4;3-chloro-N-(2-propan-2-ylphenyl)propanamide;DTXSID90408854;MFCD03076228;AKOS000152012;BS-38138;3-chloro-N-[2-(propan-2-yl)phenyl]propanamide;AM-814/41091295

Chemical Property of 3-chloro-N-(2-isopropylphenyl)propanamide

Chemical Property:

• Vapor Pressure: 9.09E-06mmHg at 25°C
• Boiling Point: 373.2°C at 760 mmHg
• Flash Point: 179.5°C
• PSA: 32.59000
• Density: 1.125g/cm³
• LogP: 4.02690
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.0920418
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

96% ^*data from raw suppliers

3-chloro-N-(2-isopropylphenyl)propanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1NC(=O)CCCl

Technology Process of 3-chloro-N-(2-isopropylphenyl)propanamide

There total 1 articles about 3-chloro-N-(2-isopropylphenyl)propanamide 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%

2-chloropropionyl chloride (625-36-5) + 2-isopropylaniline (643-28-7) → 3-chloro-N-(2-isopropyl-phenyl)-propionamide (560078-34-4)

Guidance literature:

With acetic acid; for 1.5h;

DOI:10.1016/j.farmac.2003.07.011

Reference yield: 73.0%

1H-imidazole (288-32-4) + 3-chloro-N-(2-isopropyl-phenyl)-propionamide (560078-34-4) → 3-imidazol-1-yl-N-(2-isopropyl-phenyl)-propionamide

Guidance literature:

In toluene; for 2h; Heating;

DOI:10.1016/j.farmac.2003.07.011

Reference yield: 72.0%

NH-pyrazole (288-13-1) + 3-chloro-N-(2-isopropyl-phenyl)-propionamide (560078-34-4) → C15H19N3O (1263764-85-7)

Guidance literature:

In toluene; for 27h; Reflux; Inert atmosphere;

upstream raw materials:

2-chloropropionyl chloride

2-isopropylaniline

Downstream raw materials:

C₁₅H₁₉N₃O

Refernces

• 1、 Soyer, Zeynep,Kilic, Fatma Sultan,Erol, Kevser,Pabuccuoglu, Varol. "The synthesis and anticonvulsant activity of some omega-phthalimido-N-phenylacetamide and propionamide derivatives.". . p. 105 - 111. Retrieved 2007/10/03.