3-[Chloro(dimethyl)silyl]propanenitrile

Base Information

• Chemical Name: 3-[Chloro(dimethyl)silyl]propanenitrile
• CAS No.: 18163-33-2
• Molecular Formula: C5H10ClNSi
• Molecular Weight: 147.67800
• DSSTox Substance ID: DTXSID70563339
• Nikkaji Number: J21.109E
• Wikidata: Q82447763
• Mol file: 18163-33-2.mol

Synonyms:18163-33-2;3-[Chloro(dimethyl)silyl]propanenitrile;Propanenitrile, 3-(chlorodimethylsilyl)-;3-(Chlorodimethylsilyl)-propanenitrile;SCHEMBL6746517;DTXSID70563339;MFCD28130133

Chemical Property of 3-[Chloro(dimethyl)silyl]propanenitrile

Chemical Property:

• PSA: 23.79000
• LogP: 2.34398
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.0271036
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[Si](C)(CCC#N)Cl

Technology Process of 3-[Chloro(dimethyl)silyl]propanenitrile

There total 4 articles about 3-[Chloro(dimethyl)silyl]propanenitrile 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: 95.0%

dimethylmonochlorosilane (1066-35-9) + acrylonitrile (107-13-1,25014-41-9) → Chlor-dimethyl-(2-cyan-ethyl)-silan (18163-33-2)

Guidance literature:

With N,N,N',N'-tetraethyl-1,2-diaminopropane; copper dichloride; at 10 - 70 ℃; for 50h; Cooling with ice;

Reference yield:

dimethylmonochlorosilane (1066-35-9) + acrylonitrile (107-13-1,25014-41-9) → Chlor-dimethyl-(2-cyan-ethyl)-silan (18163-33-2) + monochlorosilane (25284-41-7)

Guidance literature:

With [Re(CH₃CN)₃Br₂(NO)]; at 115 - 120 ℃; for 36h; Solvent; Overall yield = 78 %; Catalytic behavior; Inert atmosphere;

DOI:10.1016/j.jorganchem.2013.10.052

Reference yield:

methyllithium (917-54-4) + 2-cyanoethyltrichlorosilane (1071-22-3) → Chlor-dimethyl-(2-cyan-ethyl)-silan (18163-33-2)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 18h; Yield given; Ambient temperature;

DOI:10.1021/jm00387a011

upstream raw materials:

methyllithium

2-cyanoethyltrichlorosilane

dimethylmonochlorosilane

acrylonitrile