1-METHYL-1H-TETRAZOLE

Base Information

• Chemical Name: 1-METHYL-1H-TETRAZOLE
• CAS No.: 16681-77-9
• Molecular Formula: C2H4N4
• Molecular Weight: 84.0806
• Hs Code.: 2933990090
• Mol file: 16681-77-9.mol

Synonyms:1-Methyl-1,2,3,4-tetrazole;1-Methyltetrazole;N-Methyl-1H-tetrazole;N-Methyltetrazole;

Chemical Property of 1-METHYL-1H-TETRAZOLE

Chemical Property:

• Appearance/Colour: 22-24/25
• Vapor Pressure: 1.41mmHg at 25°C
• Melting Point: 37.0 to 41.0 °C
• Refractive Index: 1.664
• Boiling Point: 171.3 °C at 760 mmHg
• PKA: 1.09±0.10(Predicted)
• Flash Point: 57.4 °C
• PSA: 43.60000
• Density: 1.4 g/cm³
• LogP: -0.78990
• Solubility.: soluble in Methanol

Purity/Quality:

98% ^*data from raw suppliers

1-Methyltetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-METHYL-1H-TETRAZOLE

There total 20 articles about 1-METHYL-1H-TETRAZOLE 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: 86.0%

orthoformic acid triethyl ester (122-51-0) + methylamine (74-89-5) → 1-methyl-1,2,3,4-tetrazole (16681-77-9)

Guidance literature:

With sodium azide; In acetic acid; at 100 ℃; for 3h;

DOI:10.1007/BF00515224

Reference yield: 54.0%

benzyl bromide (100-39-0) + C10H9N5O3 (107403-66-7) → 1-methyl-1,2,3,4-tetrazole (16681-77-9) + 2-bromo-1-(4-nitrophenyl)-3-phenylpropan-1-one (107403-78-1)

Guidance literature:

In N,N-dimethyl-formamide; Ambient temperature;

Reference yield: 51.0%

benzyl bromide (100-39-0) + C10H9BrN4O (107403-65-6) → 1-methyl-1,2,3,4-tetrazole (16681-77-9) + 2-bromo-1-(4-bromophenyl)-3-phenyl-1-propanone (59824-91-8)

Guidance literature:

In N,N-dimethyl-formamide; Ambient temperature;

upstream raw materials:

diazomethane

1H-tetrazole

diethyl ether

dimethyl sulfate

Downstream raw materials:

1-methyl-4-phenacyltetrazonium bromide

5-iodo-1-methyl-1H-tetrazole

(2-phenyl-1,3-thiazol-4-yl)-(1-methyltetrazol-5-yl)methanone

[3-(methylsulfanyl)phenyl](1-methyl-1H-tetrazol-5-yl)methanone

Refernces

• 1、 Zeisel, Lukas,Szimhardt, Norbert,Wurzenberger, Maximilian H. H.,Klap?tke, Thomas M.,Stierstorfer, J?rg. "2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties". . p. 609 - 616. Retrieved 2019.
• 2、 Kohn et al.. "-". . p. 5759,5761. Retrieved 1972.