2-(Dicyclopropylmethylidene)propanedinitrile

Base Information

• Chemical Name: 2-(Dicyclopropylmethylidene)propanedinitrile
• CAS No.: 13017-60-2
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• NSC Number: 98451
• DSSTox Substance ID: DTXSID70926622
• Wikidata: Q82901195
• Mol file: 13017-60-2.mol

Synonyms:13017-60-2;Propanedinitrile, 2-dicyclopropylmethylene-,;NSC98451;DTXSID70926622;NSC-98451;(Dicyclopropylmethylidene)propanedinitrile

Chemical Property of 2-(Dicyclopropylmethylidene)propanedinitrile

Chemical Property:

• Vapor Pressure: 0.000877mmHg at 25°C
• Boiling Point: 304.4°Cat760mmHg
• Flash Point: 144°C
• Density: 1.253g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=C(C#N)C#N)C2CC2

Technology Process of 2-(Dicyclopropylmethylidene)propanedinitrile

There total 2 articles about 2-(Dicyclopropylmethylidene)propanedinitrile 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:

malononitrile (109-77-3) + dicyclopropyl ketone (1121-37-5) → (dicyclopropylmethylene)-malononitrile (13017-60-2)

Guidance literature:

With ammonium acetate; acetic acid;

DOI:10.1021/jo01347a013

Reference yield:

cyclopropylmagnesium bromide (23719-80-4) + cyclopropropanecarbonitrile (5500-21-0) + malononitrile (109-77-3) → (dicyclopropylmethylene)-malononitrile (13017-60-2) + 2-[2-(6-Amino-5-cyano-2,4-dicyclopropyl-pyridin-3-yl)-ethyl]-malononitrile

Guidance literature:

With ammonia; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, reflux, 6 h; 2.) THF, reflux, 1 h;

DOI:10.3891/acta.chem.scand.52-0790

Reference yield:

bromomalononitrile (1885-22-9) + (dicyclopropylmethylene)-malononitrile (13017-60-2) → [1,1';1',1'']Tercyclopropane-2',2',3',3'-tetracarbonitrile (10566-01-5)

Guidance literature:

DOI:10.1021/jo01347a013

upstream raw materials:

malononitrile

dicyclopropyl ketone

cyclopropylmagnesium bromide

cyclopropropanecarbonitrile

Downstream raw materials:

[1,1';1',1'']Tercyclopropane-2',2',3',3'-tetracarbonitrile

Refernces