2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid

Base Information

• Chemical Name: 2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid
• CAS No.: 21056-72-4
• Molecular Formula: C11H12ClNO3S
• Molecular Weight: 273.74
• Hs Code.: 2930909090
• Mol file: 21056-72-4.mol

Synonyms:2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid;N-Acetyl-3-[(4-chlorophenyl)thio]alanine

Chemical Property of 2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid

Chemical Property:

• Melting Point: 144-147
• Boiling Point: 521.0±50.0 °C(Predicted)
• PKA: 3.24±0.10(Predicted)
• PSA: 95.19000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 2.86170

Purity/Quality:

99% ^*data from raw suppliers

2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid

There total 1 articles about 2-(Acetylamino)-3-[(4-chlorophenyl)thio]propanoic acid 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-Acetamidoacrylic acid (5429-56-1) + p-Chlorothiophenol (106-54-7) → N-acetyl-S-(4-chloro-phenyl)-DL-cysteine (21056-72-4)

Guidance literature:

With piperidine; 1,4-dioxane;

Reference yield:

N-acetyl-S-(4-chloro-phenyl)-DL-cysteine (21056-72-4) → 4-chlorobenzenesulfinic acid (100-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH-solution; water; KMnO₄

2: diluted KOH-solution

With potassium hydroxide; potassium permanganate; water;

Reference yield:

N-acetyl-S-(4-chloro-phenyl)-DL-cysteine (21056-72-4) → S-(4-chloro-phenyl)-DL-cysteine (5464-62-0)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

N-Acetamidoacrylic acid

p-Chlorothiophenol

Downstream raw materials:

S-(4-chloro-phenyl)-DL-cysteine

4-chlorobenzenesulfinic acid

3-(4-chloro-benzenesulfonyl)-2-hydroxy-propionic acid

2-amino-3-(4-chloro-benzenesulfonyl)-propionic acid

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