1-Trimethylsilyl-1,2,4-triazole

Base Information

• Chemical Name: 1-Trimethylsilyl-1,2,4-triazole
• CAS No.: 18293-54-4
• Molecular Formula: C5H11 N3 Si
• Molecular Weight: 141.248
• Hs Code.: 2933990090
• European Community (EC) Number: 242-170-0
• UNII: XAB26MQ68G
• DSSTox Substance ID: DTXSID2066355
• Nikkaji Number: J266.102K
• Wikidata: Q72514576
• Mol file: 18293-54-4.mol

Synonyms:1-Trimethylsilyl-1,2,4-triazole;18293-54-4;1-(Trimethylsilyl)-1H-1,2,4-triazole;1H-1,2,4-Triazole, 1-(trimethylsilyl)-;trimethyl(1,2,4-triazol-1-yl)silane;N-Trimethylsilyl-1,2,4-triazole;EINECS 242-170-0;XAB26MQ68G;1H-1,2,4-Triazole, TMS derivative;UNII-XAB26MQ68G;SCHEMBL545575;DTXSID2066355;1-(trimethylsilyl)-1,2,4-triazole;MFCD00046070;AKOS006227962;1-Trimethylsilyl-1,2,4-triazole, 95%;AS-63853;1-(Trimethylsilyl)-1H-1,2,4-triazole #;CS-0204592;FT-0637673;1-TRIMETHYLSILYL-1H-1,2,4-TRIAZOLE;E83872;J-011709;1-Trimethylsilyl-1,2,4-triazole, purum, >=97.0% (NT)

Chemical Property of 1-Trimethylsilyl-1,2,4-triazole

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.000349mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 85.6 °C at 760 mmHg ，74 °C12 mm Hg(lit.)
• Flash Point: 8°C
• PSA: 30.71000
• Density: 0.989 g/mL at 25 °C(lit.)
• LogP: 0.96110
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.072223898
• Heavy Atom Count: 9
• Complexity: 98.9

Purity/Quality:

99% ^*data from raw suppliers

1-Trimethylsilyl-1,2,4-triazole, 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)N1C=NC=N1

Technology Process of 1-Trimethylsilyl-1,2,4-triazole

There total 4 articles about 1-Trimethylsilyl-1,2,4-triazole 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: 91.0%

1,2,4-Triazole (288-88-0) + 1,1,1,3,3,3-hexamethyl-disilazane (999-97-3) → 1-trimethylsilyl-1,2,4-triazole (18293-54-4)

Guidance literature:

With ammonium sulfate; at 125 ℃; for 15h;

Reference yield:

1,2,4-Triazole (288-88-0) + chloro-trimethyl-silane (75-77-4) → 1-trimethylsilyl-1,2,4-triazole (18293-54-4)

Guidance literature:

With hexamethyl disilazone; In 1,2-dichloro-ethane; at 90 ℃; for 20 - 22h;

Reference yield:

1,2,4-Triazole (288-88-0) + chloro-trimethyl-silane (75-77-4) → 4-trimethylsilyl-1,2,4-triazole (18827-14-0) + 1-trimethylsilyl-1,2,4-triazole (18293-54-4)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; 1.) acetonitrile, 0 deg C, 24 h, 2.) dichloromethane, 20 deg C, 24 h;

upstream raw materials:

1,2,4-Triazole

chloro-trimethyl-silane

1,1,1,3,3,3-hexamethyl-disilazane

Downstream raw materials:

1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1,2,4-triazole

1-benzyl-1,2,4-triazole

1-(Phenyl-trimethylsilanyloxy-methyl)-1H-[1,2,4]triazole

1,2,4-Triazole

Refernces

• 1、 Purygin, P. P.,Pan'kov, S. V.. "Synthesis of N-Cyanoazoles". . p. 865 - 867. Retrieved 2007/10/03.
• 2、 Begtrup, Mikael,Larsen, Peter. "Alkylation, Acylation and Silylation of Azoles". . p. 1050 - 1057. Retrieved 2007/10/02.