2-(Bromomethyl)-1-methyl-3-nitrobenzene

Base Information

• Chemical Name: 2-(Bromomethyl)-1-methyl-3-nitrobenzene
• CAS No.: 77378-54-2
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• European Community (EC) Number: 827-540-7
• Mol file: 77378-54-2.mol

Synonyms:2-(Bromomethyl)-1-methyl-3-nitrobenzene;77378-54-2;2-Methyl-6-nitrobenzyl bromide;2-(bromomethyl)-3-methyl-1-nitrobenzene;2-methyl-6-nitrobenzylbromide;SCHEMBL2879819;MVLKTVRKDHDFOJ-UHFFFAOYSA-N;CDA37854;MFCD12025269;AKOS025146473;AS-64127;EN300-1386996;A865275

Chemical Property of 2-(Bromomethyl)-1-methyl-3-nitrobenzene

Chemical Property:

• PSA: 45.82000
• LogP: 3.32130
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

95% ^*data from raw suppliers

2-(Bromomethyl)-1-methyl-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])CBr

Technology Process of 2-(Bromomethyl)-1-methyl-3-nitrobenzene

There total 8 articles about 2-(Bromomethyl)-1-methyl-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: 87.0%

2-(hydroxymethyl)-3-methyl-1-nitrobenzene (54915-41-2) → 1-(bromomethyl)-6-methyl-2-nitrobenzene (77378-54-2)

Guidance literature:

With boron tribromide; In hexane; dichloromethane; at 20 ℃; for 15h;

Reference yield:

2,3-dimethylnitrobenzene (83-41-0) → 1-(bromomethyl)-2-methyl-3-nitrobenzene (39053-40-2) + 1-(bromomethyl)-6-methyl-2-nitrobenzene (77378-54-2)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 4h; Heating;

DOI:10.1016/S0040-4020(01)91141-X

Reference yield:

1,2-bis(bromomethyl)-3-nitrobenzene (66126-16-7) → 1-(bromomethyl)-6-methyl-2-nitrobenzene (77378-54-2)

Guidance literature:

With 5%-palladium/activated carbon; water; hydrogen; magnesium oxide; In isopropyl alcohol; at 0 - 20 ℃; for 8h; Solvent; Temperature; Reagent/catalyst;

upstream raw materials:

2,3-dimethylnitrobenzene

2-(hydroxymethyl)-3-methyl-1-nitrobenzene

2-methyl-6-nitrobenzoyl chloride

1,2-bis(bromomethyl)-3-nitrobenzene

Downstream raw materials:

1-methyl-3-nitrobenzene

1-Methyl-3-nitro-2-prop-2-ynyloxymethyl-benzene

6-methyl-2-nitrostyrene

(2-methyl-6-nitro-benzyl)-phosphonic acid diethyl ester

Refernces

• 1、 -. "TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF". Paragraph 1487-1488. . Retrieved 2016/06/28.
• 2、 -. "TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES". Page/Page column 950; 951. . Retrieved 2013/11/18.