1-(Azidomethyl)-3-methylbenzene

Base Information

• Chemical Name: 1-(Azidomethyl)-3-methylbenzene
• CAS No.: 126799-82-4
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• Hs Code.: 2929909090
• DSSTox Substance ID: DTXSID20371623
• Nikkaji Number: J258.331C
• Wikidata: Q27452738
• Mol file: 126799-82-4.mol

Synonyms:1-(azidomethyl)-3-methylbenzene;126799-82-4;3-Methylbenzylazide;3-methylbenzyl azide;Benzene, 1-(azidomethyl)-3-methyl-;Benzene,1-(azidomethyl)-3-methyl-;1-(azidomethyl)-3-methyl-benzene;3-methyl benzyl azide;3-methylbenzylazide, AldrichCPR;SCHEMBL14648573;DTXSID20371623;FCVHHYNXTVRWJE-UHFFFAOYSA-N;BFA79982;MFCD01320905;STL192369;AKOS009158237;FT-0690946;EN300-271001;A805604;Q27452738

Chemical Property of 1-(Azidomethyl)-3-methylbenzene

Chemical Property:

• Boiling Point: 63-65°C 0.1mm
• PSA: 49.75000
• LogP: 2.25806
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

1-(azidomethyl)-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T
• Hazard Codes: C,T
• Statements: 2-11
• Safety Statements: 15-17-33

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Azidomethyl)-3-methylbenzene

There total 9 articles about 1-(Azidomethyl)-3-methylbenzene 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-(azidomethyl)-3-methylbenzene (126799-82-4)

Guidance literature:

Reference yield: 97.0%

1-bromomethyl-3-methyl-benzene (620-13-3) → 1-(azidomethyl)-3-methylbenzene (126799-82-4)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 4h;

DOI:10.1002/cmdc.201402374

Reference yield: 95.0%

1-chloromethyl-3-methyl-benzene (620-19-9) → 1-(azidomethyl)-3-methylbenzene (126799-82-4)

Guidance literature:

With sodium azide; potassium iodide; In water; acetone; at 20 ℃; for 60h; Inert atmosphere;

DOI:10.1002/anie.201612193

upstream raw materials:

m-xylene

1-bromomethyl-3-methyl-benzene

m-methylbenzyl tosylate

1-chloromethyl-3-methyl-benzene

Downstream raw materials:

1-(3-methylbenzyl)-5-phenyl-1H-[1,2,3]triazole

1‐(3‐methylbenzyl)‐4‐phenyl‐1H‐1,2,3‐triazole

dimethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate

5-amino-1-(m-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide