beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-

Base Information

• Chemical Name: beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-
• CAS No.: 30544-73-1
• Molecular Formula: C₁₈H₁₈ClNO₃
• Molecular Weight: 331.799
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20184634
• Nikkaji Number: J86.677F
• Wikidata: Q83055543
• Mol file: 30544-73-1.mol

Synonyms:beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-;30544-73-1;N-(p-Chlorobenzoyl)-N-2,6-xylyl-beta-alanine;B 66356;BRN 2772062;3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid;SCHEMBL11220562;DTXSID20184634;LS-15941;B-66356

Chemical Property of beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-

Chemical Property:

• Vapor Pressure: 1.05E-11mmHg at 25°C
• Boiling Point: 521.6°Cat760mmHg
• Flash Point: 269.3°C
• PSA: 57.61000
• Density: 1.281g/cm³
• LogP: 4.07830
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 331.0975211
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

N-(P-CHLOROBENZOYL)-N-2,6-XYLYL-BETA-ALANINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Technology Process of beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-

There total 1 articles about beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL- 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:

→ N-(p-chlorobenzoyl)-β-(2,6-dimethylanilino)propionic acid (30544-73-1)

Guidance literature:

β-(2,6-Dimethylanilino)-propionsaeureethylester: 1) p-Chlorbenzoylchlorid 2) Verseifung;

Reference yield:

N-(p-chlorobenzoyl)-β-(2,6-dimethylanilino)propionic acid (30544-73-1) → methyl N-[N-p-chlorobenzoyl)-3-(2,6-dimethylanilino)-propionyl]-4-(p-anisidino)butyrate + N-[N-(p-chlorobenzoyl)-3-(2,6-dimethylanilino)propionyl]-4-(p-anisidino)butyric acid (71455-71-5)

Guidance literature:

Reference yield:

N-(p-chlorobenzoyl)-β-(2,6-dimethylanilino)propionic acid (30544-73-1) + γ-(p-Anisidino)-buttersaeuremethylester (51814-74-5) → N-[N-(p-chlorobenzoyl)-3-(2,6-dimethylanilino)propionyl]-4-(p-anisidino)butyric acid (71455-71-5)

Guidance literature:

Multistep reaction; (i) ClCO₂Et, Et₃N, (ii) /BRN= 2809285/, (iii) KOH;

Downstream raw materials:

N-[N-(p-chlorobenzoyl)-3-(2,6-dimethylanilino)propionyl]-4-(p-anisidino)butyric acid

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