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

Base Information

• Chemical Name: 1-(Trimethylsilyl)-1H-1,2,3-triazole
• CAS No.: 13257-88-0
• Molecular Formula: C5H11 N3 Si
• Molecular Weight: 141.248
• Hs Code.: 2933990090
• European Community (EC) Number: 236-253-0
• DSSTox Substance ID: DTXSID7065388
• Nikkaji Number: J213.789E
• Wikidata: Q81992176
• Mol file: 13257-88-0.mol

Synonyms:1-(Trimethylsilyl)-1H-1,2,3-triazole;13257-88-0;trimethyl(triazol-1-yl)silane;1H-1,2,3-Triazole, 1-(trimethylsilyl)-;EINECS 236-253-0;1-Trimethylsilyl-1,2,3-triazole;n-trimethylsilyltriazole;C5H11N3Si;SCHEMBL1720459;DTXSID7065388;AKOS015909408;1-Trimethylsilanyl-1H-[1,2,3]triazole

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

Chemical Property:

• Vapor Pressure: 2.47mmHg at 25°C
• Boiling Point: 159.7°Cat760mmHg
• PKA: 2.05±0.70(Predicted)
• Flash Point: 50.4°C
• PSA: 30.71000
• Density: 1g/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: 98.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 1-(Trimethylsilyl)-1H-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:

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:

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

Guidance literature:

for 2h; Heating;

DOI:10.1080/07328319808004312

Reference yield: 67.0%

1-(trimethylsilyl)-1H-1,2,3-triazole (13257-88-0) + Benzoic acid (2R,3S,4R)-3,4,5-triacetoxy-2-trifluoromethyl-tetrahydro-furan-2-ylmethyl ester → 1-(2,3-di-O-acetyl-5-O-benzoyl-4-C-trifluoromethyl-β-D-ribo-furanosyl)triazole (219649-70-4)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In acetonitrile; Heating; overnight;

DOI:10.1080/07328319808004312

upstream raw materials:

1,2,3-triazole

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

Downstream raw materials:

1-<1,2,3-Triazolyl-(1)>-trans-buten-(1)-on-(3)

1-(2,3-di-O-acetyl-5-O-benzoyl-4-C-trifluoromethyl-β-D-ribo-furanosyl)triazole

ethyl 6-ethoxy-5,6-dihydro-4H-1,2-oxazine-3-carboxylate

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