Trimethylsilyl benzoate

Base Information

• Chemical Name: Trimethylsilyl benzoate
• CAS No.: 2078-12-8
• Molecular Formula: C10H14 O2 Si
• Molecular Weight: 194.305
• Hs Code.: 2931900090
• European Community (EC) Number: 218-204-5
• UNII: 2P6V8SPS2B
• DSSTox Substance ID: DTXSID30174864
• Nikkaji Number: J45.816C
• Wikidata: Q63395395
• Mol file: 2078-12-8.mol

Synonyms:Trimethylsilyl benzoate;Benzoyloxytrimethylsilane;2078-12-8;2P6V8SPS2B;Silanol, trimethyl-, benzoate;Benzoic acid trimethylsilyl ester;Benzoic acid, TMS;Trimethylbenzoxysilane;Benzoic acid, monoTMS;Benzoic acid, TMS ester;Benzoic acid trimethylsilyl;UNII-2P6V8SPS2B;BENZOIC ACID MONO-TMS;Benzoic Acid, TMS derivative;SCHEMBL1759366;DTXSID30174864;Benzoic acid, trimethylsilyl ester;EINECS 218-204-5;Trimethylsilyl ester of benzoic acid;Monotrimethylsilyl derivative of Benzoic acid;Q63395395

Chemical Property of Trimethylsilyl benzoate

Chemical Property:

• Vapor Pressure: 0.356mmHg at 25°C
• Boiling Point: 198.7°Cat760mmHg
• Flash Point: 61.6°C
• PSA: 26.30000
• Density: 0.99g/cm³
• LogP: 2.67830
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 194.076306220
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[Si](C)(C)OC(=O)C1=CC=CC=C1

Technology Process of Trimethylsilyl benzoate

There total 60 articles about Trimethylsilyl benzoate 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: 99.0%

ethyl trimethylsilyl ether (1825-62-3) + benzoic acid anhydride (93-97-0) → trimethylsilyl benzoate (2078-12-8)

Guidance literature:

With CBV₇₈₀; at 120 ℃; for 0.0833333h; Temperature; Microwave irradiation;

Reference yield: 97.0%

1,1,1,3,3,3-hexamethyl-disilazane (999-97-3) + benzoic acid (65-85-0,8013-63-6) → trimethylsilyl benzoate (2078-12-8)

Guidance literature:

With saccharin sodium salt; In dichloromethane; for 0.666667h; Heating;

DOI:10.1021/jo00141a031

Reference yield: 96.0%

3-(trimethylsilyl)-2-oxazolidinone (43112-38-5) + benzoic acid (65-85-0,8013-63-6) → trimethylsilyl benzoate (2078-12-8)

Guidance literature:

In tetrachloromethane; at 77 ℃; for 0.333333h;

DOI:10.1055/s-1981-29605

upstream raw materials:

chloro-trimethyl-silane

Perbenzoic acid

silver benzoate

Hexamethyldisiloxane

Downstream raw materials:

benzoic acid methyl ester

N-butylbenzamide

benzoic acid anhydride

chloro-trimethyl-silane

Refernces

• 1、 D'Vries, Richard F.,De La Pena-O'Shea, Victor A.,Snejko, Natalia,Iglesias, Marta,Gutierrez-Puebla, Enrique,Monge, M. Angeles. "H3O2 bridging ligand in a metal-organic framework. Insight into the Aqua-Hydroxo?hydroxyl equilibrium: A combined experimental and theoretical study". . p. 5782 - 5792. Retrieved 2013.
• 2、 Chang, Ting-Shuo,Chen, Jyun-Siao,Hsieh, Ya-Chi,Hsu, Hsiao-Lin,Huang, Po-Hsun,Liu, Jen-Wei,Liu, Yu-Hao,Luo, Shun-Yuan,Wu, Hsin-Ru,Wu, Ren-Tsung,Zhang, Kai-Min. "Trimethylsilyl Esters as Novel Dual-Purpose Protecting Reagents". supporting information. . Retrieved 2021/12/02.
• 3、 Zeng, Yuehua,Chiou, Mong-Feng,Zhu, Xiaotao,Cao, Jie,Lv, Daqi,Jian, Wujun,Li, Yajun,Zhang, Xinhao,Bao, Hongli. "Copper-Catalyzed Enantioselective Radical 1,4-Difunctionalization of 1,3-Enynes". supporting information. p. 18014 - 18021. Retrieved 2020/11/02.