2-(Trimethylsilyl)-2H-1,2,3-triazole

Base Information

• Chemical Name: 2-(Trimethylsilyl)-2H-1,2,3-triazole
• CAS No.: 13518-80-4
• Molecular Formula: C5H11N3Si
• Molecular Weight: 141.248
• Hs Code.: 2933990090
• European Community (EC) Number: 603-905-4
• DSSTox Substance ID: DTXSID80383025
• Nikkaji Number: J364.655F
• Wikidata: Q82174572
• Mol file: 13518-80-4.mol

Synonyms:13518-80-4;2-Trimethylsilyl-1,2,3-triazole;trimethyl(triazol-2-yl)silane;2-(Trimethylsilyl)-2H-1,2,3-triazole;2-(TRIMETHYLSILYL)-1,2,3-TRIAZOLE;2-trimethylsilyl-2H-1,2,3-triazole;2H-1,2,3-Triazole, 2-(trimethylsilyl)-;2-TMS-1,2,3-triazole;SCHEMBL2279538;DTXSID80383025;DSPOVSQQYMUIGB-UHFFFAOYSA-N;2-trimethylsilyl-1,2,3-tri-azole;MFCD00003127;AKOS006282603;2-trimethylsilanyl-2h-[1,2,3]triazole;AS-11258;FT-0636909;A920457;J-006663

Chemical Property of 2-(Trimethylsilyl)-2H-1,2,3-triazole

Chemical Property:

• Vapor Pressure: 16.8mmHg at 25°C
• Melting Point: 148 °C
• Refractive Index: 1.502
• Boiling Point: 118.3 °C at 760 mmHg
• PKA: 2.86±0.20(Predicted)
• Flash Point: 25.3 °C
• PSA: 30.71000
• Density: 1 g/cm³
• LogP: 0.96110
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.072223898
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Trimethylsilyl)-1H-1,2,3-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 3/7/9-16-29-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)N1N=CC=N1

Technology Process of 2-(Trimethylsilyl)-2H-1,2,3-triazole

There total 3 articles about 2-(Trimethylsilyl)-2H-1,2,3-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: 86.0%

chloro-trimethyl-silane (75-77-4) + 1 ,2,3-Triazole (288-36-8,288-35-7) → 2-trimethylsilyl-2H-1,2,3-triazole (13518-80-4)

Guidance literature:

With triethylamine; In benzene; at 80 ℃; for 2h;

DOI:10.1248/cpb.45.1140

Reference yield:

1,2,3-triazole (288-36-8) + 1,1,1,3,3,3-hexamethyl-disilazane (999-97-3) → 2-trimethylsilyl-2H-1,2,3-triazole (13518-80-4) + 1-(trimethylsilyl)-1H-1,2,3-triazole (13257-88-0)

Guidance literature:

for 6h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1002/(sici)1097-458x(199802)36:2<110::aid-omr224>3.3.co;2-6

Reference yield:

→ 2-trimethylsilyl-2H-1,2,3-triazole (13518-80-4)

Guidance literature:

DOI:10.1016/S0022-328X(00)85082-2

upstream raw materials:

chloro-trimethyl-silane

1 ,2,3-Triazole

1,2,3-triazole

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

Downstream raw materials:

2-(2-chloro-phenyl)-oxazole

(2S,3S,5R)-6,6-Dibromo-3-methyl-7-oxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester

2-(4-bromophenyl)oxazole

1-methyl-1,2,3-triazole

Refernces

• 1、 Larina, Lyudmila I.,Sorokin, Mikhail S.,Albanov, Aleksandr I.,Elokhina, Valentina N.,Protsuk, Nadezhda I.,Lopyrev, Valentin A.. "NMR study of C- and N-trimethylsilylazole derivatives". . p. 110 - 115. Retrieved 2007/10/03.
• 2、 Abbotto, Alessandro,Bradamante, Silvia,Pagani, Giorgio A.. "Diheteroarylmethanes. 5. E-Z isomerism of carbanions substituted by 1,3-Azoles: 13C and 15N π-charge/shift relationships as source for mapping charge and ranking the electron-withdrawing power of heterocycles". . p. 1761 - 1769. Retrieved 2007/10/03.