1-(2-Bromoethyl)-2-nitrobenzene

Base Information

• Chemical Name: 1-(2-Bromoethyl)-2-nitrobenzene
• CAS No.: 16793-89-8
• Molecular Formula: C8H8 Br N O2
• Molecular Weight: 230.061
• Hs Code.: 2904909090
• European Community (EC) Number: 627-488-3
• DSSTox Substance ID: DTXSID50494319
• Nikkaji Number: J2.896.094H
• Wikidata: Q82341592
• Mol file: 16793-89-8.mol

Synonyms:1-(2-Bromoethyl)-2-nitrobenzene;16793-89-8;2-Nitrophenethyl bromide;Benzene, 1-(2-bromoethyl)-2-nitro-;MFCD06800159;2-(2-Bromoethyl)nitrobenzene;(2-bromoethyl)-2-nitrobenzene;2-(2-bromoethyl)-nitrobenzene;SCHEMBL1814444;2-(2-nitrophenyl)ethyl bromide;2-Nitrophenethyl bromide, 97%;DTXSID50494319;SJLIPOVZERLCNL-UHFFFAOYSA-N;AKOS013153636;2-(O-NITROPHENYL)ETHYL BROMIDE;AS-75886;SY316636;BB 0259827;CS-0186221;FT-0749452;C77958;J-010413;F0293-0087

Chemical Property of 1-(2-Bromoethyl)-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00538mmHg at 25°C
• Melting Point: 34-38 °C
• Refractive Index: 1.595
• Boiling Point: 127-130 °C/1 mmHg
• Flash Point: 125.3°C
• PSA: 45.82000
• Density: 1.562g/cm³
• LogP: 3.05540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Nitrophenethyl bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCBr)[N+](=O)[O-]
• Uses: Reactant for:? ;Reduction at carbon cathodes1? ;N-(ureidoalkyl)benzylpiperidines as CCR3 receptors antagonists2 Reactant for:Reduction at carbon cathodesN-(ureidoalkyl)benzylpiperidines as CCR3 receptors antagonists

Technology Process of 1-(2-Bromoethyl)-2-nitrobenzene

There total 8 articles about 1-(2-Bromoethyl)-2-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: 81.0%

2-nitro-benzeneethanol (15121-84-3) → (2-bromoethyl)-2-nitrobenzene (16793-89-8)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0 ℃; for 0.75h;

Reference yield:

1-phenyl-2-bromoethane (103-63-9) → (4-nitrophenyl)ethyl bromide (5339-26-4) + (2-bromoethyl)-2-nitrobenzene (16793-89-8)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/ja01201a027 DOI:10.1021/ja01863a029

Reference yield:

2-nitro-benzeneethanol (15121-84-3) → (2-bromoethyl)-2-nitrobenzene (16793-89-8) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0 ℃;

upstream raw materials:

1-phenyl-2-bromoethane

2-nitro-benzeneethanol

ethyl 2-nitrophenylacetate

p-toluenesulfonic acid o-nitrophenethyl ester

Downstream raw materials:

3-(2-nitrophenyl)propionic acid

1-indoline

2-nitrostyrene

2-(2-aminoethyl)nitrobenzene

Refernces

• 1、 -. "HETEROCYCLIC AMIDES AS KINASE INHIBITORS". Page/Page column 64-65. . Retrieved 2017/07/14.
• 2、 Du, Peng,Peters, Dennis G.. "Reduction of 1-(2-Chloroethyl)-2-nitrobenzene and 1-(2-Bromoethyl)-2- nitrobenzene at carbon cathodes: Electrosynthetic routes to 1-nitro-2- vinylbenzene and 1H -indole". experimental part. p. F167-F172. Retrieved 2010/11/21.