3-chloro-N-(4-hydroxyphenyl)propanamide

Base Information

• Chemical Name: 3-chloro-N-(4-hydroxyphenyl)propanamide
• CAS No.: 19314-10-4
• Molecular Formula: C9H10 Cl N O2
• Molecular Weight: 199.637
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00388350
• Nikkaji Number: J94.733D
• Wikidata: Q82183257
• ChEMBL ID: CHEMBL441451
• Mol file: 19314-10-4.mol

Synonyms:19314-10-4;3-chloro-N-(4-hydroxyphenyl)propanamide;3-Chloro-N-(4-hydroxyphenyl)propionamide;3-Chloro-N-(4-hydroxy-phenyl)-propionamide;CHEMBL441451;SCHEMBL2205077;DTXSID00388350;QMHVIXPPSYYGJY-UHFFFAOYSA-N;MFCD09878796;AKOS009518005;3-Chloro-N-(p-hydroxyphenyl)propionamide;BS-52122;CS-0157450;EN300-7442189;A848543;Z425490042

Chemical Property of 3-chloro-N-(4-hydroxyphenyl)propanamide

Chemical Property:

• Vapor Pressure: 3.92E-08mmHg at 25°C
• Refractive Index: 1.614
• Boiling Point: 433.8°C at 760 mmHg
• Flash Point: 216.2°C
• PSA: 49.33000
• Density: 1.341g/cm³
• LogP: 2.03260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98%Min ^*data from raw suppliers

3-Chloro-N-(4-hydroxyphenyl)propanamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-chloro-N-(4-hydroxyphenyl)propanamide

There total 2 articles about 3-chloro-N-(4-hydroxyphenyl)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: 90.0%

4-amino-phenol (123-30-8) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-propionic acid-(4-hydroxy-anilide) (19314-10-4)

Guidance literature:

4-amino-phenol; 2-chloropropionyl chloride; In dichloromethane; at 20 ℃; for 4h; Alkaline aqueous solution;

at 20 ℃; for 4.16667h;

Reference yield:

→ 3-chloro-propionic acid-(4-hydroxy-anilide) (19314-10-4)

Guidance literature:

4-Hydroxy-anilin, 3-Chlor-propionyl-chlorid, Na2CO3, Acn.;

Reference yield: 87.0%

3-chloro-propionic acid-(4-hydroxy-anilide) (19314-10-4) → 3,4-dihydro-6-hydroxy-2(1H)-quinolinone (54197-66-9)

Guidance literature:

aluminum (III) chloride; at 210 ℃; for 0.166667h; Neat (no solvent);

upstream raw materials:

4-amino-phenol

2-chloropropionyl chloride

Downstream raw materials:

3,4-dihydro-6-hydroxy-2(1H)-quinolinone

Refernces

• 1、 Occhiato, Ernesto G.,Ferrali, Alessandro,Menchi, Gloria,Guarna, Antonio,Danza, Giovanna,Comerci, Alessandra,Mancina, Rosa,Serio, Mario,Garotta, Gianni,Cavalli, Andrea,De Vivo, Marco,Recanatini, Maurizio. "Synthesis, biological activity, and three-dimensional quantitative structure-activity relationship model for a series of benzo[c]quinolizin-3-ones, nonsteroidal inhibitors of human steroid 5α-reductase 1". . p. 3546 - 3560. Retrieved 2007/10/03.