Ethyl 4-amino-3-bromo-5-nitrobenzoate

Base Information

• Chemical Name: Ethyl 4-amino-3-bromo-5-nitrobenzoate
• CAS No.: 82760-42-7
• Molecular Formula: C9H9BrN2O4
• Molecular Weight: 289.085
• Hs Code.: 2922499990
• European Community (EC) Number: 280-022-7
• UNII: H2FKY88FCN
• DSSTox Substance ID: DTXSID201002873
• Nikkaji Number: J320.427H
• Mol file: 82760-42-7.mol

Synonyms:Ethyl 4-amino-3-bromo-5-nitrobenzoate;82760-42-7;C9H9BrN2O4;EINECS 280-022-7;H2FKY88FCN;UNII-H2FKY88FCN;SCHEMBL5218836;C9-H9-Br-N2-O4;QANVLXVFIRTXFG-UHFFFAOYSA-N;DTXSID201002873;MFCD00044014;Ethyl4-amino-3-bromo-5-nitrobenzoate;AS-63276;CS-0029773;EN300-204127;W18008;4-Amino-3-bromo-5-nitrobenzoic acid ethyl ester;BENZOIC ACID, 4-AMINO-3-BROMO-5-NITRO-, ETHYL ESTER

Chemical Property of Ethyl 4-amino-3-bromo-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 4.01E-07mmHg at 25°C
• Boiling Point: 415.8°Cat760mmHg
• PKA: -4.73±0.25(Predicted)
• Flash Point: 205.3°C
• PSA: 98.14000
• Density: 1.66g/cm³
• LogP: 3.22060
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 287.97457
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 4-amino-3-bromo-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-amino-3-bromo-5-nitrobenzoate

There total 1 articles about Ethyl 4-amino-3-bromo-5-nitrobenzoate 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: 100.0%

ethyl 4-amino-3-nitrobenzoate (76918-64-4) → ethyl 4-amino-3-bromo-5-nitrobenzoate (82760-42-7)

Guidance literature:

With bromine; In dichloromethane; at 40 ℃; for 4h;

Reference yield: 82.0%

ethyl 4-amino-3-bromo-5-nitrobenzoate (82760-42-7) + trifluoroacetic anhydride (407-25-0) → ethyl 3-bromo-5-nitro-4-[(trifluoroacetyl)amino]benzoate (706819-00-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 4h;

Reference yield:

ethyl 4-amino-3-bromo-5-nitrobenzoate (82760-42-7) + cyclopropylboronic acid (411235-57-9) → ethyl 4-amino-3-cyclopropyl-5-nitrobenzoate

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In water; toluene; at 100 ℃; for 16h;

upstream raw materials:

ethyl 4-amino-3-nitrobenzoate

Downstream raw materials:

ethyl 3-bromo-5-nitro-4-[(trifluoroacetyl)amino]benzoate

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