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

Base Information

• Chemical Name: Methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride
• CAS No.: 42718-19-4
• Molecular Formula: C9H11ClNO2+
• Molecular Weight: 236.098
• Hs Code.: 2923900090
• European Community (EC) Number: 869-440-6
• DSSTox Substance ID: DTXSID70510262
• Mol file: 42718-19-4.mol

Synonyms:42718-19-4;methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride;1-(4-Chlorophenyl)-2-methoxy-2-oxo-1-ethanaminium chloride;Methyl 2-amino-2-(4-chlorophenyl)acetate HCl;methyl 2-amino-2-(4-chlorophenyl)acetate;hydrochloride;methyl amino(4-chlorophenyl)acetate hydrochloride;SCHEMBL695417;(2S)-Amino-(4-chloro-phenyl)-acetic acid methyl ester hydrochloride;METHYL (2R)-2-AMINO-2-(4-CHLOROPHENYL)ACETATE HYDROCHLORIDE;Methyl 2-amino-2-(4-chlorophenyl)acetatehydrochloride;DTXSID70510262;SLFXIBKUZFTNJA-UHFFFAOYSA-N;BCP34221;MFCD00196831;AKOS005070108;AB88684;SB30511;METHYLD-4-CHLOROPHENYLGLYCINATEHCL;CS-0059219;FT-0680244;EN300-96011;F52667;2X-0715;A872834;J-521914;methyl2-amino-2-(4-chlorophenyl)acetatehydrochloride;F2147-0634;Z1297773503;Methyl amino(4-chlorophenyl)acetate--hydrogen chloride (1/1);1-(4-chlorophenyl)-2-methoxy-2-oxo-1-ethanaminium chloride, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 0.00434mmHg at 25°C
• Melting Point: 199-202oC
• Boiling Point: 278.1°C at 760 mmHg
• Flash Point: 122°C
• PSA: 52.32000
• LogP: 3.01510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.0166840
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-amino-2-(4-chlorophenyl)acetatehydrochloride >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about Methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride 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: 100.0%

methanol (67-56-1) + 2-(4-Chlorophenyl)glycine (6212-33-5,7292-70-8) → dl-α-4-chlorophenylglycine methyl ester hydrochloride (42718-19-4,59410-89-8)

Guidance literature:

With thionyl chloride; for 3h; Heating;

DOI:10.1039/b713065a

Reference yield: 100.0%

2-(4-Chlorophenyl)glycine (6212-33-5,7292-70-8) → dl-α-4-chlorophenylglycine methyl ester hydrochloride (42718-19-4,59410-89-8)

Guidance literature:

methanol; With thionyl chloride; at 0 ℃; for 0.75h;

2-(4-Chlorophenyl)glycine; at 0 - 40 ℃; for 48h;

Reference yield:

4-chlorobenzaldehyde (104-88-1) → dl-α-4-chlorophenylglycine methyl ester hydrochloride (42718-19-4,59410-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ammonium chloride; water / methanol / 2 h / 20 °C

1.2: 24 h / Reflux

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

With thionyl chloride; water; ammonium chloride; In methanol;

DOI:10.1016/j.molcata.2016.06.026

upstream raw materials:

methanol

2-(4-Chlorophenyl)glycine

4-chlorobenzaldehyde

Downstream raw materials:

DL-2-(4-Chlorphenyl)-glycinoctylamid

(4-Chloro-phenyl)-(4-cyanomethyl-benzoylamino)-acetic acid methyl ester

trimethyl 2-(4'-chlorophenyl)-5-(4'-methoxyphenyl)-3-pyrroline-2,3,4-tricarboxylate

methyl 2-(4-chlorophenyl)-2-(pyrrol-1-yl)acetate