Ethyl 2-acetamido-3-(3,4-dichlorophenyl)propanoate

Base Information

• Chemical Name: Ethyl 2-acetamido-3-(3,4-dichlorophenyl)propanoate
• CAS No.: 153828-98-9
• Molecular Formula: C₁₃H₁₅Cl₂NO₃
• Molecular Weight: 304.173
• DSSTox Substance ID: DTXSID10455188
• Mol file: 153828-98-9.mol

Synonyms:153828-98-9;Ethyl 2-acetamido-3-(3,4-dichlorophenyl)propanoate;AGN-PC-05C6OG;SCHEMBL9001342;DTXSID10455188;FT-0762610

Chemical Property of Ethyl 2-acetamido-3-(3,4-dichlorophenyl)propanoate

Chemical Property:

• Vapor Pressure: 1.7E-08mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 455.8°Cat760mmHg
• Flash Point: 229.5°C
• PSA: 55.40000
• Density: 1.275g/cm³
• LogP: 2.99460
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 303.0428987
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

AC-DL-PHE-(3,4-DICHLORO)-OET 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)NC(=O)C

Technology Process of Ethyl 2-acetamido-3-(3,4-dichlorophenyl)propanoate

There total 1 articles about Ethyl 2-acetamido-3-(3,4-dichlorophenyl)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-acetyl-3,4-dichloro-phenylalaninate (153828-98-9)

Guidance literature:

Reference yield: 45.0%

ethyl N-acetyl-3,4-dichloro-phenylalaninate (153828-98-9) → (S)-N-acetyl-3,4-dichloro-phenylalanine

Guidance literature:

at 39 ℃; for 30h; Subtilisin A from Bacillus licheniforms, pH 6.5-7;

DOI:10.1016/0957-4166(94)80133-9

Reference yield:

ethyl N-acetyl-3,4-dichloro-phenylalaninate (153828-98-9) → (S)-3,4-dichloro-phenylalanine hydrochloride

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / 30 h / 39 °C / Subtilisin A from Bacillus licheniforms, pH 6.5-7

2: 95 percent / 6 N aq. HCl / Heating

With hydrogenchloride;

DOI:10.1016/0957-4166(94)80133-9

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