Methyl 3-amino-3-(4-bromophenyl)propanoate

Base Information

• Chemical Name: Methyl 3-amino-3-(4-bromophenyl)propanoate
• CAS No.: 453557-71-6
• Molecular Formula: C10H12BrNO2
• Molecular Weight: 258.115
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID601278947
• Nikkaji Number: J2.816.339H
• ChEMBL ID: CHEMBL1906909
• Mol file: 453557-71-6.mol

Synonyms:Methyl 3-amino-3-(4-bromophenyl)propanoate;453557-71-6;SCHEMBL1585459;CHEMBL1906909;DTXSID601278947;MFCD02286059;AKOS005070949;Methyl beta-amino-4-bromobenzenepropanoate;Methyl3-amino-3-(4-bromophenyl)propanoate;CS-0302067;FT-0744790;EN300-23273;7R-0617;3-Amino-3-(4-bromophenyl)propanoic acid methyl ester;Methyl 3-amino-3-(4-bromophenyl)propanoate, AldrichCPR

Chemical Property of Methyl 3-amino-3-(4-bromophenyl)propanoate

Chemical Property:

• Melting Point: 48-49°C
• PSA: 52.32000
• LogP: 2.71230
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.00514
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-amino-3-(4-bromophenyl)propanoate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-amino-3-(4-bromophenyl)propanoate

There total 1 articles about Methyl 3-amino-3-(4-bromophenyl)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: 66.0%

methanol (67-56-1) + 3-amino-3-(4'-bromophenyl)propanoic acid (39773-47-2,295356-30-8) → 3-amino-3-(4-bromophenyl)propionic acid methyl ester (453557-71-6,261761-47-1,845958-73-8)

Guidance literature:

With hydrogenchloride; In water; for 12h; Reflux;

DOI:10.1002/adsc.200900676

Reference yield: 28.0%

3-amino-3-(4-bromophenyl)propionic acid methyl ester (453557-71-6,261761-47-1,845958-73-8) → methyl (R)-3-(4-bromophenyl)-3-aminopropanoate (261761-47-1,845958-73-8)

Guidance literature:

3-amino-3-(4-bromophenyl)propionic acid methyl ester; With (2R)-aspartic acid; In tetrahydrofuran; water; at 26 - 30 ℃;

In tetrahydrofuran; at 26 - 30 ℃; Solvent;

Reference yield:

3-amino-3-(4-bromophenyl)propionic acid methyl ester (453557-71-6,261761-47-1,845958-73-8) → (S)-3-amino-3-(4-bromophenyl)propionic acid (275826-36-3,295356-30-8) + methyl (R)-3-(4-bromophenyl)-3-aminopropanoate (261761-47-1,845958-73-8)

Guidance literature:

With Pseudomonas cepacia lipase immobilized on diatomite; water; In 1,4-dioxane; at 45 ℃; for 32.5h; optical yield given as %ee; stereoselective reaction; Enzymatic reaction;

DOI:10.1002/adsc.200900676

upstream raw materials:

methanol

3-amino-3-(4'-bromophenyl)propanoic acid

Downstream raw materials:

(S)-3-amino-3-(4-bromophenyl)propionic acid

methyl (R)-3-(4-bromophenyl)-3-aminopropanoate

Refernces