N-(2-Bromoethyl)-2-nitrobenzamide

Base Information

• Chemical Name: N-(2-Bromoethyl)-2-nitrobenzamide
• CAS No.: 63004-24-0
• Molecular Formula: C9H9 Br N2 O3
• Molecular Weight: 273.086
• Hs Code.: 2924299090
• European Community (EC) Number: 263-786-6
• DSSTox Substance ID: DTXSID00978891
• Nikkaji Number: J307.155C
• Wikidata: Q82964378
• Mol file: 63004-24-0.mol

Synonyms:N-(2-Bromoethyl)-2-nitrobenzamide;63004-24-0;EINECS 263-786-6;C9H9BrN2O3;C9-H9-Br-N2-O3;SCHEMBL11719219;DTXSID00978891;VNYZLKGRVHTMIQ-UHFFFAOYSA-N;N-(2-Bromoethyl)-2-nitrobenzene-1-carboximidic acid

Chemical Property of N-(2-Bromoethyl)-2-nitrobenzamide

Chemical Property:

• Vapor Pressure: 1.91E-07mmHg at 25°C
• Boiling Point: 425.5°C at 760 mmHg
• Flash Point: 211.1°C
• PSA: 78.41000
• Density: 1.594g/cm³
• LogP: 2.81750
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 271.97965
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

N-(2-BROMOETHYL)-2-NITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(2-Bromoethyl)-2-nitrobenzamide

There total 1 articles about N-(2-Bromoethyl)-2-nitrobenzamide 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:

2-bromoethylamine hydrobromide (2576-47-8) + 2-nitrobenzyl chloride (610-14-0) → 2-nitro-benzoic acid-(2-bromo-ethylamide) (63004-24-0)

Guidance literature:

With sodium hydroxide; benzene;

DOI:10.1021/ja01290a042

Reference yield:

2-nitro-benzoic acid-(2-bromo-ethylamide) (63004-24-0) + 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (1021-25-6) + isopropyl alcohol (67-63-0,8013-70-5) + acetone (67-64-1) → 2-nitro-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)-ethyl]benzamide hydrobromide (63004-25-1)

Guidance literature:

In water; N,N-dimethyl-formamide;

Reference yield:

2-nitro-benzoic acid-(2-bromo-ethylamide) (63004-24-0) → 4,5-dihydro-2-(2-nitrophenyl)oxazole (88186-34-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01290a042

upstream raw materials:

2-bromoethylamine hydrobromide

2-nitrobenzyl chloride

Downstream raw materials:

4,5-dihydro-2-(2-nitrophenyl)oxazole

2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline

2-nitro-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)-ethyl]benzamide hydrobromide

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