1,5-Dimethyltetrazole

Base Information

• Chemical Name: 1,5-Dimethyltetrazole
• CAS No.: 5144-11-6
• Molecular Formula: C3H6N4
• Molecular Weight: 98.1074
• Hs Code.: 2933990090
• European Community (EC) Number: 225-913-3
• NSC Number: 402739
• DSSTox Substance ID: DTXSID70199415
• Nikkaji Number: J100.712B
• Wikidata: Q83072335
• Mol file: 5144-11-6.mol

Synonyms:1,5-Dimethyltetrazole;5144-11-6;1,5-Dimethyl-1H-tetrazole;1H-Tetrazole, 1,5-dimethyl-;dimethyl-1H-1,2,3,4-tetrazole;MFCD00190183;NSC402739;1,5-dimethyltetrazol;1,5-dimethyl-tetrazole;1H-Tetrazole,5-dimethyl-;tetrazole, 1,5-dimethyl-;1,5-Dimethyl-1H-tetraazole #;DTXSID70199415;EINECS 225-913-3;AKOS006274690;NSC 402739;NSC-402739;SY253276;F16819

Chemical Property of 1,5-Dimethyltetrazole

Chemical Property:

• Vapor Pressure: 0.00951mmHg at 25°C
• Melting Point: 70-71 °C
• Refractive Index: 1.6260 (estimate)
• Boiling Point: 264.8°Cat760mmHg
• PKA: 1.23±0.10(Predicted)
• Flash Point: 113.9°C
• PSA: 43.60000
• Density: 1.3g/cm³
• LogP: -0.48150
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.059246208
• Heavy Atom Count: 7
• Complexity: 64

Purity/Quality:

99% ^*data from raw suppliers

1,5-Dimethyltetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=NN1C

Technology Process of 1,5-Dimethyltetrazole

There total 18 articles about 1,5-Dimethyltetrazole 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: 99.0%

acetone (67-64-1) → 1,5-dimethyl-1H-tetrazole (5144-11-6)

Guidance literature:

With tin(ll) chloride; trimethylsilylacetylene; at 55 ℃; for 20h;

DOI:10.1246/cl.1984.455

Reference yield: 98.0%

trimethylsilylazide (4648-54-8) + acetone oxime methanesulfonate (86921-62-2) → 1,5-dimethyl-1H-tetrazole (5144-11-6) + trimethylsilyl methanesulfonate (10090-05-8)

Guidance literature:

In chlorobenzene; for 24h; Heating;

DOI:10.1246/bcsj.58.2419

Reference yield: 94.0%

N-methylacetonitrilium trifluoromethanesulphonate (76893-86-2) → 1,5-dimethyl-1H-tetrazole (5144-11-6)

Guidance literature:

With sodium azide; In nitromethane; at 30 - 40 ℃; for 0.5h;

upstream raw materials:

N-methyl-acetamide

acetone oxime-o-benzenesulfonic ester

acetone

5-methyl-1,2,3,4-tetrazole

Downstream raw materials:

ethyl 2-(1-methyl-1H-tetrazol-5-yl)acetate

1,5-dimethyl-4-(4-nitrophenacyl)-1H-tetrazolium bromide

C₁₂H₁₅N₄O⁽¹⁺⁾*BF₄^(1-)

1,1-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)ethanol

Refernces

• 1、 Xie, Aming,Zhang, Qiang,Liu, Yangyang,Feng, Liandong,Hu, Xinyu,Dong, Wei. "An Environmentally Friendly Method for N-Methylation of 5-Substituted 1H-Tetrazoles with a Green Methylating Reagent: Dimethyl Carbonate". . p. 1483 - 1487. Retrieved 2015/10/06.
• 2、 Amer, Muhanned I. K.,Booth, Brian L.. "Controlled Synthesis of 5-Substituted 1-Methyl-1H-Tetrazoles and 3,5-Disubstituted 1,4-dimethyltriazolium Salts from N-Methylnitrilium Trifluoromethanesulfonate Salts.". . p. 113 - 124. Retrieved 2007/10/02.