1-Azido-3,5-dimethylbenzene

Base Information

• Chemical Name: 1-Azido-3,5-dimethylbenzene
• CAS No.: 70334-59-7
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• DSSTox Substance ID: DTXSID70568283
• Nikkaji Number: J2.040.951G
• Wikidata: Q82454487

Synonyms:1-Azido-3,5-dimethylbenzene;70334-59-7;Benzene, 1-azido-3,5-dimethyl-;3,5-dimethylphenylazide;DTXSID70568283;GKJIZQPBVOEDFB-UHFFFAOYSA-N;AKOS009323117;EN300-271757

Chemical Property of 1-Azido-3,5-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: 162

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Azido-3,5-dimethylbenzene

There total 5 articles about 1-Azido-3,5-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: 93.0%

3,5-dimethylphenyl iodide (22445-41-6) → 1-azido-3,5-dimethylbenzene (70334-59-7)

Guidance literature:

With copper(l) iodide; sodium azide; L-proline; sodium hydroxide; In dimethyl sulfoxide; at 60 ℃; for 5h;

DOI:10.1039/b400878b

Reference yield: 90.0%

3,5-dimethylaminoaniline (108-69-0) → 1-azido-3,5-dimethylbenzene (70334-59-7)

Guidance literature:

With tert.-butylnitrite; trimethylsilylazide; In acetonitrile; at 0 - 20 ℃;

DOI:10.1021/ol800675u

Reference yield:

3,5-dimethylphenyl boronic acid (172975-69-8) → 1-azido-3,5-dimethylbenzene (70334-59-7)

Guidance literature:

With sodium azide; copper(ll) sulfate pentahydrate; In methanol; at 20 ℃;

DOI:10.1016/j.carres.2012.01.020

upstream raw materials:

3,5-dimethylphenyl iodide

3,5-dimethylaminoaniline

3,5-dimethylphenyl boronic acid

2-(3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Downstream raw materials:

bis[1,4-bis(4-tolyl)tetraazabutadiene]nickel

bis[1,4-bis(3,5-dimethylphenyl)tetraazabutadiene]nickel

[Ni((C₆H₄Me-4)2N₄)((C₆H₃Me₂-3,5)2N₄)]

[Ni((C₆H₃Me₂-3,5)2N₄)((C₆H₃Me₂-3,5)N₄(C₆H₄Me-4))]

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