Silane, (3,3-dimethyl-1-butynyl)trimethyl-

Base Information

• Chemical Name: Silane, (3,3-dimethyl-1-butynyl)trimethyl-
• CAS No.: 14630-42-3
• Molecular Formula: C9H18 Si
• Molecular Weight: 154.327
• Hs Code.: 2931900090
• European Community (EC) Number: 630-827-8
• DSSTox Substance ID: DTXSID10163352
• Nikkaji Number: J47.885G
• Wikidata: Q63393367
• Mol file: 14630-42-3.mol

Synonyms:14630-42-3;Silane, (3,3-dimethyl-1-butynyl)trimethyl-;1-Trimethylsilyl-3,3-dimethyl-1-butyne;3,3-dimethyl-1-trimethylsilyl-1-butyne;3,3-dimethylbut-1-ynyl(trimethyl)silane;3,3-dimethyl-1-(trimethylsilyl)-1-butyne;1-Butyne, 3,3-dimethyl-1-trimethylsilyl-;(3,3-dimethylbut-1-yn-1-yl)trimethylsilane;(3,3-Dimethyl-1-butynyl)(trimethyl)silane;DTXSID10163352;3-methyl-dihydrofuran-2(3H)-one;MFCD00134215;1-t-butyl-2-trimethylsilyl acetylene;AKOS006341995;(3,3-dimethylbut-1-ynyl)trimethylsilane;Silane,(3,3-dimethyl-1-butynyl)trimethyl;silane, (3,3-dimethyl-1-butynyl)trimethyl;FT-0694343;(3,3-dimethylbut-1-yn-1-yl)(trimethyl)silane;S19270;Q63393367

Chemical Property of Silane, (3,3-dimethyl-1-butynyl)trimethyl-

Chemical Property:

• Vapor Pressure: 12.3mmHg at 25°C
• Boiling Point: 129.7°Cat760mmHg
• Flash Point: 12.2°C
• PSA: 0.00000
• Density: 0.786g/cm³
• LogP: 2.91330
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 154.117777109
• Heavy Atom Count: 10
• Complexity: 164

Purity/Quality:

98%Min ^*data from raw suppliers

1-Trimethylsilyl-3,3-dimethyl-1-butyne 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C#C[Si](C)(C)C
• Uses: tert-Butyl(trimethylsilyl)acetylene is an intermediate in the synthesis of 1-Bromo-3,3-dimethyl-1-butene (B740080) which is used as a reagent in the preparation of bromo(dimethyl)butenes via elimination of dibromo(dimethyl)butane in the preparation of alkynes.

Technology Process of Silane, (3,3-dimethyl-1-butynyl)trimethyl-

There total 24 articles about Silane, (3,3-dimethyl-1-butynyl)trimethyl- 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: 79.0%

trimethylsilyl cyanide (7677-24-9) + tert-butyllithium (37892-71-0) → (3,3-dimethyl-1-butynyl)trimethylsilane (14630-42-3)

Guidance literature:

In tetrahydrofuran; at -20 ℃;

DOI:10.1021/jo00368a030

Reference yield: 68.0%

chloro-trimethyl-silane (75-77-4) + 3,3-Dimethylbut-1-yne (917-92-0) → (3,3-dimethyl-1-butynyl)trimethylsilane (14630-42-3)

Guidance literature:

3,3-Dimethylbut-1-yne; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

chloro-trimethyl-silane; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 5.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01243

Reference yield: 64.0%

4-tert-Butyl-2,2-dimethyl-3-(trimethylsilyl)-1-oxa-2-sila-3-cyclobutene (118096-54-1) → (3,3-dimethyl-1-butynyl)trimethylsilane (14630-42-3)

Guidance literature:

In benzene; at 80 ℃; for 1.5h;

upstream raw materials:

chloro-trimethyl-silane

3,3-Dimethylbut-1-yne

diethyl sulfate

3-methyl-but-1-yne

Downstream raw materials:

((E)-3,3-Dimethyl-but-1-enyl)-trimethyl-silane

(Z)-1-(trimethylsilyl)-3,3-dimethyl-1-butene

C₁₆H₂₄IO₄P

2,5-di-tert-butylthiophene

Refernces

• 1、 Luo, Xiaosheng,Wang, Ping. "Ynonylation of Acyl Radicals by Electroinduced Homolysis of 4-Acyl-1,4-dihydropyridines". supporting information. p. 4960 - 4965. Retrieved 2021/07/20.
• 2、 Tessier, Romain,Ceballos, Javier,Guidotti, Nora,Simonet-Davin, Raphael,Fierz, Beat,Waser, Jerome. "“Doubly Orthogonal” Labeling of Peptides and Proteins". supporting information. p. 2243 - 2263. Retrieved 2019/08/08.