Ethyl isocyanide

Base Information

• Chemical Name: Ethyl isocyanide
• CAS No.: 624-79-3
• Molecular Formula: C3H5 N
• Molecular Weight: 55.0794
• Hs Code.: 2926909090
• European Community (EC) Number: 210-863-7
• DSSTox Substance ID: DTXSID90977959
• Nikkaji Number: J6.855A
• Wikidata: Q82963292
• Mol file: 624-79-3.mol

Synonyms:ethyl isocyanide;ethylisonitrile

Chemical Property of Ethyl isocyanide

Chemical Property:

• Melting Point: <-66oC
• Refractive Index: 1.3607
• Boiling Point: 96.85°C (estimate)
• PSA: 0.00000
• Density: 0.7378
• LogP: 0.15630
• Water Solubility.: 999mg/L(temperature not stated)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 55.042199164
• Heavy Atom Count: 4
• Complexity: 38.5

Purity/Quality:

99%, ^*data from raw suppliers

PN100917:Ethylisocyanide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC[N+]#[C-]
• Uses: Principal use in toxicology was in the characterization of cytochrome P450 isozymes. Ethyl isocyanide and the reduced cytochrome form a characteristic optical difference spectrum with two peaks in the Soret Region (type III). The pH equilibrium point (the pH at which the two peaks are of equal height) varies between different isozymes.

Technology Process of Ethyl isocyanide

There total 21 articles about Ethyl isocyanide 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: 84.0%

bis(dimethylamino)malononitrile (63442-64-8) → ethyl isocyanide (624-79-3) + Cyan-N,N,N',N'-tetramethylformamidinium-tetrafluoroborat (70976-86-2) + propiononitrile (107-12-0)

Guidance literature:

With triethyloxonium fluoroborate; In dichloromethane; Product distribution; Ambient temperature;

Reference yield: 44.0%

bis(dimethylamino)malononitrile (63442-64-8) + triethyloxonium fluoroborate (368-39-8) → ethyl isocyanide (624-79-3) + Cyan-N,N,N',N'-tetramethylformamidinium-tetrafluoroborat (70976-86-2) + propiononitrile (107-12-0)

Guidance literature:

In dichloromethane; Ambient temperature;

Reference yield:

N-chloro-N-ethylacetamide (5014-40-4) + furan-2,3,5(4H)-trione pyridine (1:1) → N,N-dichloroethylamine (24948-83-2) + chloroform (67-66-3,8013-54-5) + ethyl isocyanide (624-79-3) + ethylamine (75-04-7,85404-22-4)

Guidance literature:

upstream raw materials:

hydrogen cyanide

ethene

N-chloro-N-ethylacetamide

chloroform

Downstream raw materials:

N-Ethylmethylamine

ethylamine

Ni(CO)3C₂H₅NC

Ni(CO)2(C₂H₅NC)2

Refernces

• 1、 Kantlehner, Willi,Greiner, Ulrich. "Ortho Amides, XLVI. - Contributions to the Chemistry of Bis(dialkylamino)malononitriles". . p. 965 - 973. Retrieved 2007/10/02.