1-[(Trimethylsilyl)methyl]benzotriazole

Base Information

• Chemical Name: 1-[(Trimethylsilyl)methyl]benzotriazole
• CAS No.: 122296-00-8
• Molecular Formula: C10H15 N3 Si
• Molecular Weight: 205.335
• European Community (EC) Number: 626-399-7
• DSSTox Substance ID: DTXSID90391398
• Nikkaji Number: J1.593.133G
• Wikidata: Q82188837
• Mol file: 122296-00-8.mol

Synonyms:122296-00-8;1-[(Trimethylsilyl)methyl]benzotriazole;benzotriazol-1-ylmethyl(trimethyl)silane;1-((Trimethylsilyl)methyl)-1H-benzo[d][1,2,3]triazole;1-[(trimethylsilyl)methyl]-1H-1,2,3-benzotriazole;1-((trimethylsilyl)methyl)benzotriazole;SCHEMBL1054916;DTXSID90391398;1-(trimethylsilylmethyl)benzotriazole;MFCD00956443;AKOS015889150;1-((Trimethylsilyl)methyl)benzotriazole&;BS-21268;1-[(Trimethylsilyl)methyl]-1H-benzotriazole;CS-0088527;FT-0723387;1-[(Trimethylsilyl)methyl]benzotriazole, 99%;J-004784

Chemical Property of 1-[(Trimethylsilyl)methyl]benzotriazole

Chemical Property:

• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: 56-60 °C(lit.)
• Refractive Index: 1.556
• Boiling Point: 300.3°C at 760 mmHg
• Flash Point: 135.4°C
• PSA: 30.71000
• Density: 1.06g/cm³
• LogP: 2.57510
• Solubility.: Well soluble in most organic solvents.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.103524026
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-[(Trimethylsilyl)methyl]benzotriazole 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)CN1C2=CC=CC=C2N=N1
• Physical properties: mp 55–56 °C.
• Uses: 1-[(Trimethylsilyl)methyl]- 1H-benzotriazole is a reagent in the preparation of ketones, carboxylic acids,One-carbon Homologation of Carboxylic Acids,Synthesis of Fused Heterocycles and fused heterocycles. New Benzotriazole ReagentsReactant for:Alkylation reactionsPreparation of inhibitor of p53-MDM2 complex formationUsed as a one-carbon synthon for one-carbon homologation of carboxylic acids

Technology Process of 1-[(Trimethylsilyl)methyl]benzotriazole

There total 4 articles about 1-[(Trimethylsilyl)methyl]benzotriazole 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: 62.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + Chloromethyltrimethylsilane (2344-80-1) → 1-<(trimethylsilyl)methyl>benzotriazole (122296-00-8) + 2-(trimethylsilylmethyl)benzotriazole

Guidance literature:

1,2,3-Benzotriazole; With sodium methylate; In methanol;

Chloromethyltrimethylsilane; With 18-crown-6 ether; In N,N-dimethyl-formamide;

DOI:10.1023/B:COHC.0000018343.03997.9e

Reference yield: 62.0%

sodium benzotriazolate (15217-42-2) + Chloromethyltrimethylsilane (2344-80-1) → 1-<(trimethylsilyl)methyl>benzotriazole (122296-00-8) + 2-(trimethylsilylmethyl)benzotriazole

Guidance literature:

With 18-crown-6 ether; In N,N-dimethyl-formamide; at 25 - 30 ℃;

DOI:10.1023/A:1022196617956

Reference yield: 60.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + Chloromethyltrimethylsilane (2344-80-1) → 1-<(trimethylsilyl)methyl>benzotriazole (122296-00-8)

Guidance literature:

With sodium hydroxide; In ethanol; N,N-dimethyl-formamide; Ambient temperature;

upstream raw materials:

1,2,3-Benzotriazole

Chloromethyltrimethylsilane

trimethylsilanylmethyltrifluoromethane sulphonate

sodium benzotriazolate

Downstream raw materials:

2-(benzotriazol-1-yl)acetophenone

2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylphenyl)-1-ethanone

2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-chlorophenyl)ethan-1-one

1-(benzotriazol-1-yl)propan-2-one