2-Azido-1,4-dimethylbenzene

Base Information

• Chemical Name: 2-Azido-1,4-dimethylbenzene
• CAS No.: 35774-21-1
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• DSSTox Substance ID: DTXSID40562793
• Wikidata: Q82447072
• Mol file: 35774-21-1.mol

Synonyms:2-Azido-1,4-dimethylbenzene;35774-21-1;2,5-dimethylphenyl azide;SCHEMBL14306432;DTXSID40562793;MFCD11207340;AKOS009323115;LS-12257;EN300-271756

Chemical Property of 2-Azido-1,4-dimethylbenzene

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Azido-1,4-dimethylbenzene

There total 11 articles about 2-Azido-1,4-dimethylbenzene 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: 86.0%

4-bromo-m-xylene (553-94-6) → 2,5-dimethylphenyl azide (35774-21-1)

Guidance literature:

With sodium azide; caesium carbonate; copper(I) bromide; N,N`-dimethylethylenediamine; In N,N-dimethyl-formamide; at 90 ℃; for 12h;

DOI:10.1002/chem.201202070

Reference yield:

(2,5-dimethylphenyl)(4'-methoxyphenyl)iodonium hexafluorophosphate → 2,5-dimethylphenyl azide (35774-21-1) + para-iodoanisole (696-62-8)

Guidance literature:

With tetrabutylammoniun azide; In [D₃]acetonitrile; at 45 ℃; regioselective reaction; Inert atmosphere; Darkness;

DOI:10.1002/anie.201000695

Reference yield:

2,5-Dimethylaniline (95-78-3) → 2,5-dimethylphenyl azide (35774-21-1)

Guidance literature:

2,5-Dimethylaniline; With sulfuric acid; In 1,4-dioxane; at -15 ℃; for 0.0833333h;

With sodium nitrite; In 1,4-dioxane; for 0.5h;

With sodium azide; In 1,4-dioxane; at 20 ℃;

DOI:10.1016/j.steroids.2016.11.003

upstream raw materials:

(2,5-dimethylphenyl)hydrazine

3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene

C₂₄H₂₄IN₃

4-bromo-m-xylene

Downstream raw materials:

2,5-Dimethylphenol

2,5-Dimethylaniline

2,5-dimethylhydroquinone

2,5-dimethyl-4-amino phenol