2-acetamido-3-(2-chlorophenyl)propanoic Acid

Base Information

• Chemical Name: 2-acetamido-3-(2-chlorophenyl)propanoic Acid
• CAS No.: 6955-12-0
• Molecular Formula: C₁₁H₁₂ClNO₃
• Molecular Weight: 241.674
• NSC Number: 20156
• Mol file: 6955-12-0.mol

Synonyms:2-acetamido-3-(2-chlorophenyl)propanoic Acid;6955-12-0;3-(2-CHLOROPHENYL)-2-ACETAMIDOPROPANOIC ACID;starbld0038731;SCHEMBL2152925;NSC20156;NSC-20156;AKOS005349979;CS-0344253;E83536;EN300-1217950;F2147-6558

Chemical Property of 2-acetamido-3-(2-chlorophenyl)propanoic Acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 241.0505709
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CC=CC=C1Cl)C(=O)O

Technology Process of 2-acetamido-3-(2-chlorophenyl)propanoic Acid

There total 4 articles about 2-acetamido-3-(2-chlorophenyl)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-acetyl-3-(2-chlorophenyl)-2-ethoxycarbonyl alanine ethyl ester (5440-50-6) → (+/-)-N-acetyl-3-(2-chlorophenyl)alanine (6955-12-0)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) aq. HCl;

DOI:10.1002/jps.2600500413

Reference yield:

1-bromomethyl-2-chlorobenzene (611-17-6) → (+/-)-N-acetyl-3-(2-chlorophenyl)alanine (6955-12-0)

Guidance literature:

Multi-step reaction with 3 steps

1: EtONa / ethanol

2: NaOH / ethanol

3: dioxane / Heating

With sodium hydroxide; sodium ethanolate; In 1,4-dioxane; ethanol;

DOI:10.1016/S0957-4166(97)00252-8

Reference yield:

acetylamino-(2-chloro-benzyl)-malonic acid (855650-84-9) → (+/-)-N-acetyl-3-(2-chlorophenyl)alanine (6955-12-0)

Guidance literature:

With water;

upstream raw materials:

acetylamino-(2-chloro-benzyl)-malonic acid

N-acetyl-3-(2-chlorophenyl)-2-ethoxycarbonyl alanine ethyl ester

1-bromomethyl-2-chlorobenzene

2-methylchlorobenzene

Downstream raw materials:

N-[1-(2-chloro-benzyl)-2-oxo-propyl]-acetamide

N-[1-benzoyl-2-(2-chloro-phenyl)-ethyl]-acetamide

(S)-N-acetyl-o-chlorophenylalanine

(2S)-2-amino-3-(2-chlorophenyl)propanoic acid