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

Base Information

• Chemical Name: Methyl 3-amino-3-(3-chlorophenyl)propanoate
• CAS No.: 277745-44-5
• Molecular Formula: C10H12ClNO2
• Molecular Weight: 213.66100
• DSSTox Substance ID: DTXSID301274572
• Mol file: 277745-44-5.mol

Synonyms:methyl 3-amino-3-(3-chlorophenyl)propanoate;277745-44-5;Methyl b-amino-3-chloro-benzenepropanoate HCl;SCHEMBL4938396;WKTWPAVCKXHOQH-UHFFFAOYSA-N;DTXSID301274572;Methyl beta-amino-3-chlorobenzenepropanoate;Methyl 3-amino-3-(3-chlorophenyl)propionate;EN300-95137;N16544

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

Chemical Property:

• Boiling Point: 311.6±32.0 °C(Predicted)
• PKA: 7.37±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:

98.5% ^*data from raw suppliers

Methylb-amino-3-chloro-benzenepropanoateHCl 97% ^*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=C1)Cl)N

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

There total 1 articles about Methyl 3-amino-3-(3-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: 87.0%

methanol (67-56-1) + 3-amino-3-(3-chloro-phenyl)-propionic acid (68208-21-9) → 3-amino-3-(3-chlorophenyl)propionic acid methyl ester (277745-44-5,309757-83-3,905991-90-4)

Guidance literature:

methanol; 3-amino-3-(3-chloro-phenyl)-propionic acid; With thionyl chloride; at -10 - 20 ℃;

With sodium hydrogencarbonate; In water; ethyl acetate; pH=7;

Reference yield:

3-amino-3-(3-chlorophenyl)propionic acid methyl ester (277745-44-5,309757-83-3,905991-90-4) + naphthalene-2-carboxylate (93-09-4) → C21H18ClNO3 (1269634-44-7)

Guidance literature:

naphthalene-2-carboxylate; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrachloromethane; at 0 ℃;

3-amino-3-(3-chlorophenyl)propionic acid methyl ester; With 4-methyl-morpholine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jm1009742

Reference yield:

3-amino-3-(3-chlorophenyl)propionic acid methyl ester (277745-44-5,309757-83-3,905991-90-4) + (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (85977-52-2) → C21H22ClNO3 (1269634-46-9)

Guidance literature:

(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrachloromethane; at 0 ℃;

3-amino-3-(3-chlorophenyl)propionic acid methyl ester; With 4-methyl-morpholine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jm1009742

upstream raw materials:

methanol

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

Downstream raw materials:

3-(3-chlorophenyl)-3-[(S)-1,2,3,4-tetrahydronaphthalene-1-carboxamido]propanoic acid

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

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

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