NISTC4113728

Base Information

• Chemical Name: NISTC4113728
• CAS No.: 4113-72-8
• Molecular Formula: C7H7N3
• Molecular Weight: 133.153
• Hs Code.: 2929909090
• Mol file: 4113-72-8.mol

Synonyms:1-Azido-3-methylbenzene;Benzene, 1-azido-3-methyl-;

Chemical Property of NISTC4113728

Chemical Property:

• Refractive Index: 1.5341 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 49.75000
• Density: g/cm³
• LogP: 2.38956
• Storage Temp.: ?20°C

Purity/Quality:

95% ^*data from raw suppliers

1-Azido-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1817552
• Hazard Codes: F,T
• Statements: 11-38-48/23/24/25
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of NISTC4113728

There total 10 articles about NISTC4113728 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: 100.0%

1-amino-3-methylbenzene (108-44-1) → 1-azido-3-methylbenzene (4113-72-8)

Guidance literature:

With tert.-butylnitrite; trimethylsilylazide; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1039/c3cc43838d

Reference yield: 60.0%

m-tolylhydrazine (536-89-0) → 1-azido-3-methylbenzene (4113-72-8) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With oxygen; nitrogen(II) oxide; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(97)10056-4

Reference yield:

m-tolylboronic acid (17933-03-8) → 1-azido-3-methylbenzene (4113-72-8)

Guidance literature:

With sodium azide; (Cu(C₄H₃N(CHNCH₃))2); In water; at 30 ℃; for 8h; Schlenk technique;

DOI:10.1002/cjoc.201500643

upstream raw materials:

m-toluenediazonium chloride

m-tolylhydrazine

1-amino-3-methylbenzene

m-tolylboronic acid

Downstream raw materials:

4-ethoxy-3-methyl-aniline

4-amino-2-methylphenol

5-phenyl-3-m-tolyl-3H-[1,2,3]triazol-4-ylamine

N-benzyl-3-methylaniline

Refernces

• 1、 Abbaspour, M.,Mohammadi Ziarani, G.,Rafiee, F.. "Immobilization of vitamin B1 on the magnetic dialdehyde starch as an efficient carbene-type support for the copper complexation and its catalytic activity examination". . . Retrieved 2021/11/16.
• 2、 Awolade, Paul,Cele, Nosipho,Kerru, Nagaraju,Singh, Parvesh. "Synthesis, antimicrobial evaluation, and in silico studies of quinoline—1H-1,2,3-triazole molecular hybrids". . p. 2201 - 2218. Retrieved 2020/06/17.