1-(2,2-Dibromoethenyl)-3-nitrobenzene

Base Information

• Chemical Name: 1-(2,2-Dibromoethenyl)-3-nitrobenzene
• CAS No.: 444681-65-6
• Molecular Formula: C₈H₅Br₂NO₂
• Molecular Weight: 306.941
• Nikkaji Number: J1.631.697K
• Mol file: 444681-65-6.mol

Synonyms:1-(2,2-dibromoethenyl)-3-nitrobenzene;444681-65-6;beta,beta-Dibromo-3-nitrostyrene;EN300-359301

Chemical Property of 1-(2,2-Dibromoethenyl)-3-nitrobenzene

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 306.86665
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(2,2-Dibromoethenyl)-3-nitrobenzene

There total 2 articles about 1-(2,2-Dibromoethenyl)-3-nitrobenzene 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: 77.0%

carbon tetrabromide (558-13-4) + 3-nitro-benzaldehyde (99-61-6) → 1,1-dibromo-2-(3-nitrophenyl)ethene (444681-65-6)

Guidance literature:

With triphenylphosphine; In dichloromethane; at 0 ℃; for 5.25h; Inert atmosphere;

DOI:10.1021/ol5016898

Reference yield:

2,2,3-tribromo-3-(3-nitro-phenyl)-propionic acid (861362-78-9) → 1,1-dibromo-2-(3-nitrophenyl)ethene (444681-65-6)

Guidance literature:

With sodium carbonate;

Reference yield: 97.0%

benzimidazole (271-44-3) + 1,1-dibromo-2-(3-nitrophenyl)ethene (444681-65-6) → C15H9N3O2 (1373265-51-0)

Guidance literature:

With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 80 ℃; for 48h; regioselective reaction;

DOI:10.1021/om3005614

upstream raw materials:

2,2,3-tribromo-3-(3-nitro-phenyl)-propionic acid

carbon tetrabromide

3-nitro-benzaldehyde

Downstream raw materials:

(E)-1-(2-bromo-vinyl)-3-nitro-benzene

N-benzyl-N-4-toluenesulfonyl-4-methoxy-phenylethynylamine

(R)-3-(3-nitro-phenylethynyl)-4-phenyl-oxazolidin-2-one

2,2-di(2-oxo-pyrrolidin-1-yl)-vinyl-3-nitro-benzene