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

Base Information

• Chemical Name: Methyl 2-amino-2-(4-chlorophenyl)acetate
• CAS No.: 43189-20-4
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• Hs Code.: 2922499990
• European Community (EC) Number: 800-523-1
• DSSTox Substance ID: DTXSID40377107
• Nikkaji Number: J2.986.078E
• Mol file: 43189-20-4.mol

Synonyms:Methyl 2-amino-2-(4-chlorophenyl)acetate;43189-20-4;AMINO-(4-CHLORO-PHENYL)-ACETIC ACID METHYL ESTER;ALLOPREGNANOLONEACETATE;SCHEMBL949748;DTXSID40377107;WEWZTDMEYWXSRG-UHFFFAOYSA-N;Methyl amino(4-chlorophenyl)acetate;MFCD07787231;AKOS010011767;DL-4-Chlorophenylglycine Methyl Ester;DS-2331;SB37176;Amino 4-chlorophenylacetic acid methyl ester;CS-0106588;FT-0694931;EN300-147517;4-chlorophenyl-2-amino-acetic acid methyl ester;A872742;AMINO-(4-CHLORO-PHENYL)-ACETICACIDMETHYLESTER;(2S)-Amino-(4-chloro-phenyl)-acetic acid methyl ester;Methyl 2-amino-2-(4-chlorophenyl)acetate (H-DL-Phg(4-Cl)-OMe)

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

Chemical Property:

• Boiling Point: 278.1±25.0 °C(Predicted)
• PKA: 6.49±0.10(Predicted)
• PSA: 52.32000
• Density: 1.258±0.06 g/cm3(Predicted)
• LogP: 2.21310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-amino-2-(4-chlorophenyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about Methyl 2-amino-2-(4-chlorophenyl)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:

methanol (67-56-1) + 2-(4-Chlorophenyl)glycine (6212-33-5,7292-70-8) → methyl (±)-2-amino-2-(4-chlorophenyl)acetate (43189-20-4)

Guidance literature:

With sulfuric acid;

DOI:10.1039/P19760000475

Reference yield:

dl-α-4-chlorophenylglycine methyl ester hydrochloride (42718-19-4,59410-89-8) → methyl (±)-2-amino-2-(4-chlorophenyl)acetate (43189-20-4)

Guidance literature:

With potassium hydrogencarbonate; In water;

DOI:10.1016/j.molcata.2016.06.026

Reference yield:

2-(4-Chlorophenyl)glycine (6212-33-5,7292-70-8) → methyl (±)-2-amino-2-(4-chlorophenyl)acetate (43189-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 24 h / 20 °C / Cooling with ice

2: potassium hydrogencarbonate / water

With thionyl chloride; potassium hydrogencarbonate; In water;

DOI:10.1016/j.molcata.2016.06.026

upstream raw materials:

methanol

2-(4-Chlorophenyl)glycine

dl-α-4-chlorophenylglycine methyl ester hydrochloride

4-chlorobenzaldehyde

Downstream raw materials:

(2-amino-5-iodo-benzoylamino)-(4-chloro-phenyl)-acetic acid methyl ester

N-[1-(4-chlorophenyl)-2-hydroxyethyl]octanamide

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

methyl 1-acetyl-2'-(4-chlorophenyl)-5'-(4-nitrophenyl)-2-oxo-4'-phenylspiro[indoline-3,3'-pyrrolidine]-2'-carboxylate