2-BROMOMETHYL-1-METHYL-4-NITRO-BENZENE

Base Information

• Chemical Name: 2-BROMOMETHYL-1-METHYL-4-NITRO-BENZENE
• CAS No.: 98799-27-0
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2904909090
• Mol file: 98799-27-0.mol

Synonyms:2-methyl-5-nitrobenzyl bromide;BEN301;2-bromomethyl-1-methyl-4-nitro-benzene;

Chemical Property of 2-BROMOMETHYL-1-METHYL-4-NITRO-BENZENE

Chemical Property:

• PSA: 45.82000
• LogP: 3.32130
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromomethyl-1-methyl-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-BROMOMETHYL-1-METHYL-4-NITRO-BENZENE

There total 4 articles about 2-BROMOMETHYL-1-METHYL-4-NITRO-BENZENE 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: 95.0%

2-(chloromethyl)-4-nitrotoluene (58966-24-8) → 2-(bromomethyl)-1-methyl-4-nitro-benzene (98799-27-0)

Guidance literature:

With lithium bromide; In tetrahydrofuran; for 24h; Reflux;

DOI:10.1039/c3md00221g

Reference yield: 75.0%

(2-methyl-5-nitro-7-phenyl)methanol (22474-47-1) → 2-(bromomethyl)-1-methyl-4-nitro-benzene (98799-27-0)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 ℃;

Reference yield:

5-nitro-o-toluic acid (1975-52-6) → 2-(bromomethyl)-1-methyl-4-nitro-benzene (98799-27-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diborane / tetrahydrofuran / 2.08 h / 0 - 30 °C / Inert atmosphere

2: phosphorus tribromide / dichloromethane / 2.08 h / 0 °C / Inert atmosphere

With phosphorus tribromide; diborane; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ml400519h

upstream raw materials:

(2-methyl-5-nitro-7-phenyl)methanol

2-(chloromethyl)-4-nitrotoluene

5-nitro-o-toluic acid

ethyl 2-methyl-5-nitrobenzoate

Downstream raw materials:

2,6-difluoro-N-{1-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrazol-3-yl}benzamide

3-[(cyclopentylsulfanyl)methyl]-4-methylaniline

N-{3-[(cyclopentylsulfanyl)methyl]-4-methylphenyl}thiophene-2-carboximidamide

diethyl (2-methyl-5-nitrobenzyl)phosphonate

Refernces

• 1、 -. "THERAPEUTIC COMPOUNDS". Paragraph 0395; 0403. . Retrieved 2017/01/23.
• 2、 Nordqvist, Anneli,Kristensson, Lisbeth,Johansson, Kjell E.,Isaksson Da Silva, Krystle,Fex, Tomas,Tyrchan, Christian,Svensson Henriksson, Anette,Nilsson, Kristina. "New hits as antagonists of GPR103 identified by HTS". supporting information. p. 527 - 532. Retrieved 2014/06/09.