Methyl 2-[(4-chlorophenyl)amino]acetate

Base Information

• Chemical Name: Methyl 2-[(4-chlorophenyl)amino]acetate
• CAS No.: 131770-31-5
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• Hs Code.: 2922498590
• European Community (EC) Number: 603-509-1
• DSSTox Substance ID: DTXSID901266294
• Nikkaji Number: J2.023.852F
• Mol file: 131770-31-5.mol

Synonyms:131770-31-5;N-(4-Chlorophenyl)glycine methyl ester;Methyl 2-[(4-chlorophenyl)amino]acetate;methyl 2-(4-chloroanilino)acetate;(4-Chloro-phenylamino)-acetic acid methyl ester;methyl 2-((4-chlorophenyl)amino)acetate;SCHEMBL5121422;methyl 4-chlorophenylaminoacetate;Methyl (4-chlorophenyl)glycinate;HUPQJKATNYSUHO-UHFFFAOYSA-N;DTXSID901266294;AKOS000254391;methyl2-((4-chlorophenyl)amino)acetate;N-(4-chlorophenyl)-glycine methyl ester;VS-02141;BB 0221443;CS-0444604;Glycine, N-(4-chlorophenyl)-, methyl ester;EN300-878402;(4-Chloro-phenylamino)-acetic acid methyl ester

Chemical Property of Methyl 2-[(4-chlorophenyl)amino]acetate

Chemical Property:

• PSA: 38.33000
• LogP: 1.99790
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98.5% ^*data from raw suppliers

N-(4-Chlorophenyl)glycinemethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CNC1=CC=C(C=C1)Cl

Technology Process of Methyl 2-[(4-chlorophenyl)amino]acetate

There total 8 articles about Methyl 2-[(4-chlorophenyl)amino]acetate 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: 99.0%

→ N-(4-Chlorophenyl)glycine methyl ester (131770-31-5)

Guidance literature:

Reference yield: 96.0%

4-chloro-aniline (106-47-8) + bromoacetic acid methyl ester (96-32-2) → N-(4-Chlorophenyl)glycine methyl ester (131770-31-5)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 20 - 60 ℃; for 12h; Inert atmosphere;

DOI:10.3998/ark.5550190.p008.138

Reference yield: 88.0%

methanol (67-56-1) + N-(4-chlorophenyl)glycine (5465-90-7) → N-(4-Chlorophenyl)glycine methyl ester (131770-31-5)

Guidance literature:

With thionyl chloride; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1021/op800203p

upstream raw materials:

methanol

4-chloro-aniline

2-Bromoacetyl bromide

bromoacetic acid methyl ester

Downstream raw materials:

N-(4-chlorobenzenesulfonyl)-N'-(4-chlorophenyl)-N'-methoxycarbonylmethylurea

C₁₁H₁₁Cl₂NO₃

(2R*,3R*)-2,3-dimethyl-1,4-diphenylbutane-1,4-dione