2-[(3-chlorophenyl)amino]acetic Acid

Base Information

• Chemical Name: 2-[(3-chlorophenyl)amino]acetic Acid
• CAS No.: 10242-05-4
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• European Community (EC) Number: 644-913-8
• DSSTox Substance ID: DTXSID70396321
• Nikkaji Number: J1.025.377B
• Wikidata: Q82196972
• Mol file: 10242-05-4.mol

Synonyms:10242-05-4;2-[(3-chlorophenyl)amino]acetic Acid;2-(3-chloroanilino)acetic acid;N-(3-chlorophenyl)glycine;Glycine, N-(3-chlorophenyl)-;(3-chlorophenyl)glycine;2-((3-Chlorophenyl)amino)acetic acid;(3-chloroanilino)acetic acid;3-chlorophenylglycine;3-chloro-phenylglycine;N-(3-Chlorophenyl)-glycine;SCHEMBL157003;n-3-chlorophenylaminoacetic acid;DTXSID70396321;KZXFAYGKDCLTER-UHFFFAOYSA-N;2-(3-chlorophenylamino)acetic acid;2-((3-Chlorophenyl)amino)aceticacid;MFCD02255622;STL583881;AKOS000101387;GS-3175;CS-0119729;EN300-45214;E76535;N-(3-Chlorophenyl)glycine (Ph(3-Cl)-Gly-OH);J-522997;Z274534700

Chemical Property of 2-[(3-chlorophenyl)amino]acetic Acid

Chemical Property:

• PSA: 49.33000
• LogP: 1.90950
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3-CHLOROANILINO)ACETIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)NCC(=O)O

Technology Process of 2-[(3-chlorophenyl)amino]acetic Acid

There total 5 articles about 2-[(3-chlorophenyl)amino]acetic 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:

ethyl 2-((3-chlorophenyl)amino)acetate (2573-31-1) → 2-((3-chlorophenyl)amino)acetic acid (10242-05-4)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

3-chloro-aniline (108-42-9) → 2-((3-chlorophenyl)amino)acetic acid (10242-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 60 °C

2: sodium hydroxide; water / ethanol / 4 h / 60 °C

With water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;

Reference yield:

ethyl bromoacetate (105-36-2) + 3-chloro-aniline (108-42-9) → 2-((3-chlorophenyl)amino)acetic acid (10242-05-4)

Guidance literature:

With ethanol; sodium acetate; at 125 ℃; Erwaermen des Reaktionsprodukts mit wss.-aethanol. NaOH;

upstream raw materials:

ethyl bromoacetate

3-chloro-aniline

chloroacetic acid

ethyl 2-((3-chlorophenyl)amino)acetate

Downstream raw materials:

N-(3-chloro-phenyl)-N-nitroso-glycine

N-[(4-chloro-phenoxy)-acetyl]-N-(3-chloro-phenyl)-glycine

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