2-(4-Chloroanilino)butanoic acid

Base Information

• Chemical Name: 2-(4-Chloroanilino)butanoic acid
• CAS No.: 199679-86-2
• Molecular Formula: C₁₀H₁₂ClNO₂
• Molecular Weight: 213.664
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30589752
• Mol file: 199679-86-2.mol

Synonyms:2-(4-Chloroanilino)butanoic acid;199679-86-2;2-[(4-CHLOROPHENYL)AMINO]BUTANOIC ACID;SCHEMBL11195208;DTXSID30589752;AKOS000100511;AKOS022185241;2-[(4-Chlorophenyl)amino]butanoicacid;DB-192177

Chemical Property of 2-(4-Chloroanilino)butanoic acid

Chemical Property:

• Vapor Pressure: 1.58E-07mmHg at 25°C
• Boiling Point: 412.1°C at 760 mmHg
• Flash Point: 203°C
• PSA: 49.33000
• Density: 1.292g/cm³
• LogP: 2.68810
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

2-[(4-CHLOROPHENYL)AMINO]BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)NC1=CC=C(C=C1)Cl

Technology Process of 2-(4-Chloroanilino)butanoic acid

There total 3 articles about 2-(4-Chloroanilino)butanoic 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: 55.0%

(R)-2-(4-Chloro-phenylamino)-butyric acid methyl ester (199679-83-9) → (R)-2-(4-Chloro-phenylamino)-butyric acid (199679-86-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 5h; Ambient temperature;

Reference yield: 15.0%

2-Bromobutyric acid (80-58-0) + 4-chloro-aniline (106-47-8) → ethyl[(4-chlorophenyl) amino]acetate (199679-86-2)

Guidance literature:

at 80 ℃; for 48h;

Reference yield:

(S)-2-(4-Chloro-phenylamino)-butyric acid methyl ester → (S)-2-(4-Chloro-phenylamino)-butyric acid (199679-86-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 5h; Ambient temperature;

upstream raw materials:

2-Bromobutyric acid

4-chloro-aniline

(R)-2-(4-Chloro-phenylamino)-butyric acid methyl ester

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