Ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate

Base Information

• Chemical Name: Ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate
• CAS No.: 840-44-8
• Molecular Formula: C11H11Br2NO4
• Molecular Weight: 381.021
• NSC Number: 29658
• DSSTox Substance ID: DTXSID60283099

Synonyms:840-44-8;ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate;NSC29658;SCHEMBL11795322;DTXSID60283099;NSC-29658

Chemical Property of Ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate

Chemical Property:

• Vapor Pressure: 1.46E-06mmHg at 25°C
• Boiling Point: 398.6°Cat760mmHg
• Flash Point: 194.9°C
• Density: 1.775g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 380.90343
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])Br)Br

Technology Process of Ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate

There total 5 articles about Ethyl 2,3-dibromo-3-(4-nitrophenyl)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: 97.0%

ethyl 4-nitrocinnamate (953-26-4) → rac-(R,S)-ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate (840-44-8,19308-33-9,41441-00-3,55169-96-5)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 1-(3,5-bis(trifluoromethyl)phenyl)-3-(2-(dimethylamino)ethyl)thiourea; In dichloromethane; at 22 ℃; for 2h; optical yield given as %de; diastereospecific reaction;

DOI:10.1021/ol300456x

Reference yield:

ethyl (E)-3-(4-nitrophenyl)-2-propenoate (24393-61-1) → 2,3-dibromo-3-(4-nitro-phenyl)-propionic acid ethyl ester (840-44-8)

Guidance literature:

With pyridinium hydrobromide perbromide; In acetic acid;

DOI:10.1016/0584-8539(82)80085-8

Reference yield:

ethyl (E)-3-(4-nitrophenyl)-2-propenoate (24393-61-1) → rac-(R,S)-ethyl 2,3-dibromo-3-(4-nitrophenyl)propanoate (840-44-8,19308-33-9,41441-00-3,55169-96-5)

Guidance literature:

With chloroform; bromine;

upstream raw materials:

ethyl 4-nitrocinnamate

ethyl (E)-3-(4-nitrophenyl)-2-propenoate

Downstream raw materials:

p-nitrocinnamic acid

3-(4-nitrophenyl)-2-propynoic acid

ethyl 3-(4-nitrophenyl)prop-2-ynoate

1-Phenyl-2-anilino-3-oxo-5-<4-nitro-phenyl>-penten-1-in-4

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