1-(Azidomethyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(Azidomethyl)-4-methylbenzene
• CAS No.: 17271-89-5
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• Hs Code.: 2929909090
• DSSTox Substance ID: DTXSID00504639
• Nikkaji Number: J258.332A
• Wikidata: Q82359277
• Mol file: 17271-89-5.mol

Synonyms:1-(azidomethyl)-4-methylbenzene;17271-89-5;Benzene, 1-(azidomethyl)-4-methyl-;1-(azidomethyl)-4-methylbenzene(SALTDATA: FREE);4-methyl benzyl azide;4-(Azidomethyl)toluene;SCHEMBL14280518;DTXSID00504639;NBXGSUCKCKGTCH-UHFFFAOYSA-N;MFCD11637154;AKOS005174325;LS-04460;SY174731;EN300-49488

Chemical Property of 1-(Azidomethyl)-4-methylbenzene

Chemical Property:

• Boiling Point: 94 °C(Press: 12 Torr)
• Flash Point: -33℃
• PSA: 49.75000
• LogP: 2.25806
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(Azidomethyl)-4-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2438837
• Hazard Codes: F,Xi
• Statements: 11-38
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Azidomethyl)-4-methylbenzene

There total 21 articles about 1-(Azidomethyl)-4-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%

4-Methylbenzyl bromide (104-81-4) → 4-methylphenylmethylazide (17271-89-5)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 80 ℃;

DOI:10.1021/acs.orglett.7b03123

Reference yield: 99.0%

4-Methylbenzyl chloride (104-82-5) → 4-methylphenylmethylazide (17271-89-5)

Guidance literature:

With Caswell No_. 744A; In dimethyl sulfoxide; for 14h; Inert atmosphere;

DOI:10.1021/jm1000979

Reference yield: 98.0%

para-xylene (106-42-3) + 1-azido-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (160732-56-9) → 4-methylphenylmethylazide (17271-89-5)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; at 20 ℃; for 8h; Irradiation;

upstream raw materials:

4-Methylbenzyl chloride

4-Methylbenzyl bromide

p-methylbenzyl thiocyanate

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

Downstream raw materials:

4-Methylbenzyl chloride

di-tert-butyl 1-(4-methylbenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate

5-benzoyl-4,4'-dimethoxycarbonyl-1-(4'methylbenzyl)-1,2,3-triazoline

4,4-dimethoxycarbonyl-5-(4'-methylbenzoyl)-1-(4'-methylbenzyl)-1,2,3-triazoline