Ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride

Base Information

• Chemical Name: Ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride
• CAS No.: 502841-92-1
• Molecular Formula: C₁₁H₁₄BrNO₂*ClH
• Molecular Weight: 308.603
• European Community (EC) Number: 874-211-9

Synonyms:ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride;502841-92-1;Ethyl 3-amino-3-(4-bromophenyl)propanoate, HCl;ethyl 3-amino-3-(4-bromophenyl)propanoate;hydrochloride;XHINNSPOAIKUHT-UHFFFAOYSA-N;CVA84192;MFCD02663241;AKOS001475877;MCULE-2203554511;SB82942;CS-0257109;EN300-66102;G32385;Ethyl 3-amino-3-(4-bromophenyl)propanoate (HCl);ethyl3-amino-3-(4-bromophenyl)propanoatehydrochloride;Z1262398469

Chemical Property of Ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 306.99747
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

98% ^*data from raw suppliers

Ethyl3-amino-3-(4-bromophenyl)propanoatehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride

There total 2 articles about Ethyl 3-amino-3-(4-bromophenyl)propanoate 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: 97.0%

ethanol (64-17-5) + 3-amino-3-(4'-bromophenyl)propanoic acid (39773-47-2,295356-30-8) → ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride (502841-92-1)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

DOI:10.1134/S107042801206019X

Reference yield:

4-bromo-benzaldehyde (1122-91-4) → ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride (502841-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate

2: thionyl chloride / 2 h / Reflux

With thionyl chloride; ammonium acetate;

DOI:10.1134/S107042801206019X

Reference yield: 85.0%

ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride (502841-92-1) + benzaldehyde (100-52-7) → ethyl 3-benzylideneamino-3-(4-bromophenyl)-propanoate

Guidance literature:

With sodium carbonate; In water; at 20 - 50 ℃; for 26h;

DOI:10.1134/S107042801206019X

upstream raw materials:

ethanol

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

4-bromo-benzaldehyde

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