2-(2'-Bromoethyl)-beta-nitrostyrene

Base Information

• Chemical Name: 2-(2'-Bromoethyl)-beta-nitrostyrene
• CAS No.: 120427-94-3
• Molecular Formula: C₁₀H₁₀BrNO₂
• Molecular Weight: 256.099
• DSSTox Substance ID: DTXSID10699686
• Mol file: 120427-94-3.mol

Synonyms:SCHEMBL4621752;DTXSID10699686;FCPRCFFVLWHIBS-UHFFFAOYSA-N;2-(2'-bromoethyl)-beta-nitrostyrene

Chemical Property of 2-(2'-Bromoethyl)-beta-nitrostyrene

Chemical Property:

• Boiling Point: 340.905 °C at 760 mmHg
• Flash Point: 159.974 °C
• PSA: 45.82000
• Density: 1.483 g/cm³
• LogP: 3.39460
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 254.98949
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Bromoethyl)-2-(2-nitrovinyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2'-Bromoethyl)-beta-nitrostyrene

There total 5 articles about 2-(2'-Bromoethyl)-beta-nitrostyrene 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: 80.0%

nitromethane (75-52-5) + 2-(2-bromoethyl)benzaldehyde (22901-09-3) → 2-(2-bromoethyl)-β-nitrostyrene (120427-94-3)

Guidance literature:

With sodium methylate; In methanol; at 0 ℃; for 1h;

DOI:10.1002/jhet.5570320334

Reference yield: 80.0%

1-Bromoisochromane (50683-32-4) → 2-(2-bromoethyl)-β-nitrostyrene (120427-94-3)

Guidance literature:

In methanol; water; Acidic conditions; Large scale;

Reference yield:

nitromethane (75-52-5) + 2-(2-bromoethyl)benzaldehyde (22901-09-3) → C10H10BrNO2 (120427-94-3) + 2-(2-bromoethyl)-β-nitrostyrene (120427-94-3)

Guidance literature:

With ammonium chloride; at 100 ℃; for 6h; Reagent/catalyst;

upstream raw materials:

nitromethane

2-(2-bromoethyl)benzaldehyde

isochromane

1-Bromoisochromane

Downstream raw materials:

4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

ropinirole hydrochloride

4-ethylenyl-1,3-dihydro-2H-indol-2-one

Refernces

• 1、 -. "PROCESS FOR PURIFICATION OF ROPINIROLE". Page/Page column 20-21. . Retrieved 2010/02/13.
• 2、 Hayler,Howie,Giles,Negus,Oxley,Walsgrove,Walsh,Dagger,Fortunak,Mastrocola. "Some synthetic approaches to ropinirole (SK and F 101468-A): A potent dopamine receptor agonist". . p. 875 - 882. Retrieved 2007/10/02.