Ethyl (2S)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate

Base Information

• Chemical Name: Ethyl (2S)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate
• CAS No.: 34029-27-1
• Deprecated CAS: 61996-41-6,65437-82-3
• Molecular Formula: C₁₈H₁₇ClFNO₃
• Molecular Weight: 349.789
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30955599
• Nikkaji Number: J1.617.292H
• Wikidata: Q82935259
• Mol file: 34029-27-1.mol

Synonyms:ETHYL (2S)-2-[BENZOYL-(3-CHLORO-4-FLUORO-PHENYL)AMINO]PROPANOATE;ethyl (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate;Ethyl N-benzoyl-N-(3-chloro-4-fluorophenyl)alaninate;SCHEMBL635894;L-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, ethyl ester;DTXSID30955599;J-520649;N-Benzoyl-N-(3-chloro-4-fluorophenyl)-L-alanine ethyl ester

Chemical Property of Ethyl (2S)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate

Chemical Property:

• Vapor Pressure: 5.01E-09mmHg at 25°C
• Melting Point: 86-8°C
• Boiling Point: 470.6°Cat760mmHg
• Flash Point: 238.4°C
• PSA: 46.61000
• Density: 1.281g/cm³
• LogP: 4.07750
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 349.0880993
• Heavy Atom Count: 24
• Complexity: 442

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(Benzoyl-3-chloro-4-fluoroanilino)propanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2
• Isomeric SMILES: CCOC(=O)[C@H](C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2

Technology Process of Ethyl (2S)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate

There total 1 articles about Ethyl (2S)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate 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:

→ Ethyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-2-aminopropionate (52756-28-2,34029-27-1,65437-82-3)

Guidance literature:

N-(3-Chlor-4-fluorphenyl)alaninethylester, PhCOCl;

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