Methyl 3-amino-3-(2-chlorophenyl)propanoate

Base Information

• Chemical Name: Methyl 3-amino-3-(2-chlorophenyl)propanoate
• CAS No.: 823189-96-4
• Molecular Formula: C10H12ClNO2
• Molecular Weight: 213.664
• European Community (EC) Number: 969-661-9
• Mol file: 823189-96-4.mol

Synonyms:methyl 3-amino-3-(2-chlorophenyl)propanoate;823189-96-4;SCHEMBL5693549;DCRQVNQTTSOOAI-UHFFFAOYSA-N;HMS1733D22;AKOS000118213;AKOS017282982;methyl3-amino-3-(2-chlorophenyl)propanoate;EN300-23255;N16522;3-amino-3-(2-chloro-phenyl)-propionic acid methyl ester;Methyl 3-amino-3-(2-chlorophenyl)propanoate, AldrichCPR;(r/s)-3-amino-3-(2-chloro-phenyl)-propionic acid methyl ester

Chemical Property of Methyl 3-amino-3-(2-chlorophenyl)propanoate

Chemical Property:

• Boiling Point: 313.1±32.0 °C(Predicted)
• PKA: 7.14±0.10(Predicted)
• PSA: 52.32000
• Density: 1.220±0.06 g/cm3(Predicted)
• LogP: 2.60320
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

95% ^*data from raw suppliers

METHYL 3-AMINO-3-(2-CHLOROPHENYL)PROPANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(C1=CC=CC=C1Cl)N

Technology Process of Methyl 3-amino-3-(2-chlorophenyl)propanoate

There total 1 articles about Methyl 3-amino-3-(2-chlorophenyl)propanoate 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) + 3-amino-3-(2-chloro-phenyl)-propionic acid (68208-20-8,740794-79-0) → methyl 3-amino-3-(2-chlorophenyl)propanoate (823189-96-4)

Guidance literature:

methanol; With thionyl chloride; at 0 ℃; for 0.166667h;

3-amino-3-(2-chloro-phenyl)-propionic acid; In methanol; at 0 - 20 ℃; for 48h;

Reference yield: 94.0%

methyl 3-amino-3-(2-chlorophenyl)propanoate (823189-96-4) + di-tert-butyl dicarbonate (24424-99-5) → methyl 3-((tert-butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoate (823189-98-6)

Guidance literature:

With pyridine; dmap; at 20 ℃; for 16h;

Reference yield:

methyl 3-amino-3-(2-chlorophenyl)propanoate (823189-96-4) + benzoic acid (65-85-0,8013-63-6) → methyl 3-benzamido-3-(2-chlorophenyl)propanoate (1269634-12-9)

Guidance literature:

benzoic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrachloromethane; at 0 ℃;

methyl 3-amino-3-(2-chlorophenyl)propanoate; With 4-methyl-morpholine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jm1009742

upstream raw materials:

methanol

3-amino-3-(2-chloro-phenyl)-propionic acid

Downstream raw materials:

methyl 3-((tert-butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoate

(R)-1-[3-benzamido-3-(2-chlorophenyl)propanamido]-3-methylbutylboronic acid

3-benzamido-3-(2-chlorophenyl)propanoic acid

methyl 3-benzamido-3-(2-chlorophenyl)propanoate