Butyric acid, 4-(o-(4-chloro-N-methylbenzamido)phenyl)-

Base Information

• Chemical Name: Butyric acid, 4-(o-(4-chloro-N-methylbenzamido)phenyl)-
• CAS No.: 83626-94-2
• Molecular Formula: C₁₈H₁₈ClNO₃
• Molecular Weight: 331.799
• DSSTox Substance ID: DTXSID30232473
• Nikkaji Number: J77.580K
• Wikidata: Q83113519
• Mol file: 83626-94-2.mol

Synonyms:83626-94-2;Butyric acid, 4-(o-(4-chloro-N-methylbenzamido)phenyl)-;4-(o-(Chloro-N-methylbenzamido)phenyl)butyric acid;Benzenebutanoic acid, 2-((4-chlorobenzoyl)methylamino)-;SCHEMBL11255842;DTXSID30232473;LS-47916;4-[o-[4-Chlorobenzoyl(methyl)amino]phenyl]butyric acid

Chemical Property of Butyric acid, 4-(o-(4-chloro-N-methylbenzamido)phenyl)-

Chemical Property:

• Vapor Pressure: 1.33E-11mmHg at 25°C
• Boiling Point: 519.1°C at 760 mmHg
• Flash Point: 267.7°C
• PSA: 57.61000
• Density: 1.279g/cm³
• LogP: 4.02390
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 331.0975211
• Heavy Atom Count: 23
• Complexity: 407

Purity/Quality:

BUTYRIC ACID, 4-(O-(4-CHLORO-N-METHYLBENZAMIDO)PHENYL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Technology Process of Butyric acid, 4-(o-(4-chloro-N-methylbenzamido)phenyl)-

There total 2 articles about Butyric acid, 4-(o-(4-chloro-N-methylbenzamido)phenyl)- 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:

4-chloro-benzoyl chloride (122-01-0) + 2-aza-2-methyl-bento-cycloheptanone (20678-82-4) → 4-[2-(N-methyl-4-chloro-benzamido)-phenyl]-butyric acid (83626-94-2)

Guidance literature:

With potassium hydroxide; sodium hydrogencarbonate; Yield given. Multistep reaction; 1.) ethylene glycol monoethyl ether, 150 deg C, 6 h, 2.) water, ether, 2 h;

DOI:10.1002/jps.2600710719

Reference yield:

→ 4-[2-(N-methyl-4-chloro-benzamido)-phenyl]-butyric acid (83626-94-2)

Guidance literature:

upstream raw materials:

4-chloro-benzoyl chloride

2-aza-2-methyl-bento-cycloheptanone