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

Base Information

• Chemical Name: Ethyl 3-amino-3-(3-bromophenyl)propanoate
• CAS No.: 275826-31-8
• Molecular Formula: C₁₁H₁₄BrNO₂
• Molecular Weight: 272.142
• DSSTox Substance ID: DTXSID701283553

Synonyms:ethyl 3-amino-3-(3-bromophenyl)propanoate;275826-31-8;Oprea1_327138;SCHEMBL20545317;DTXSID701283553;AKOS005142340;Ethyl beta-amino-3-bromobenzenepropanoate;ethyl3-amino-3-(3-bromophenyl)propanoate;EN300-133660

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

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 271.02079
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

98% ^*data from raw suppliers

3-AMINO-3-(3-BROMO-PHENYL)-PROPIONICACIDETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 3 articles about Ethyl 3-amino-3-(3-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: 13.0%

m-bromobenzoic aldehyde (3132-99-8) + hydrogen ethyl malonate (1071-46-1) → ethyl 3-amino-3-(3-bromophenyl)propanoate (275826-31-8,275826-38-5)

Guidance literature:

With ammonium chloride; In ethanol; for 16h; Heating;

DOI:10.1055/s-2005-863735

Reference yield:

ethanol (64-17-5) + 3-amino-3-(3-bromo-phenyl)-propionic acid (117391-50-1,275826-35-2,788153-27-5) → ethyl 3-amino-3-(3-bromophenyl)propanoate (275826-31-8,275826-38-5)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) → ethyl 3-amino-3-(3-bromophenyl)propanoate (275826-31-8,275826-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / Reflux

2: sulfuric acid / Reflux

With sulfuric acid; ammonium acetate; In ethanol;

upstream raw materials:

m-bromobenzoic aldehyde

hydrogen ethyl malonate

ethanol

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

Downstream raw materials:

5-(3-bromo-phenyl)-1,1-dioxo-1λ⁶-[1,2,6]thiadiazinan-3-one

C₁₁H₁₅BrN₂O₄S

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