N-(3-bromopropyl)-2-nitrobenzamide

Base Information

• Chemical Name: N-(3-bromopropyl)-2-nitrobenzamide
• CAS No.: 76315-44-1
• Molecular Formula: C10H11BrN2O3
• Molecular Weight: 287.11000
• DSSTox Substance ID: DTXSID60602261
• Wikidata: Q82499241
• Mol file: 76315-44-1.mol

Synonyms:N-(3-bromopropyl)-2-nitrobenzamide;76315-44-1;Benzamide, N-(3-bromopropyl)-2-nitro-;SCHEMBL9227085;DTXSID60602261;GCBVUHVWTDLZNH-UHFFFAOYSA-N;A1-04946

Chemical Property of N-(3-bromopropyl)-2-nitrobenzamide

Chemical Property:

• PSA: 78.41000
• LogP: 3.20760
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 285.99530
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

N-(3-Bromopropyl)-2-nitrobenzamide ^*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)NCCCBr)[N+](=O)[O-]

Technology Process of N-(3-bromopropyl)-2-nitrobenzamide

There total 1 articles about N-(3-bromopropyl)-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-nitrobenzyl chloride (610-14-0) → 2-nitro-benzoic acid-(3-bromo-propylamide) (76315-44-1)

Guidance literature:

With sodium hydroxide; benzene;

DOI:10.1021/ja01290a043

Reference yield:

2-nitro-benzoic acid-(3-bromo-propylamide) (76315-44-1) + acetonitrile (75-05-8,26809-02-9) → N-[3-(1H-Tetrazol-2-yl)propyl]-2-nitrobenzamide

Guidance literature:

With 1H-tetrazole; In N-methyl-acetamide;

Reference yield:

2-nitro-benzoic acid-(3-bromo-propylamide) (76315-44-1) → 2-(2-nitrophenyl)-5,6-dihydro-4H-1,3-oxazine (90915-72-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01290a043

upstream raw materials:

2-nitrobenzyl chloride

Downstream raw materials:

2-(2-nitrophenyl)-5,6-dihydro-4H-1,3-oxazine