propanedinitrile, (2-amino-3-cyano-4H-1-benzopyran-4-yl)-

Base Information

• Chemical Name: propanedinitrile, (2-amino-3-cyano-4H-1-benzopyran-4-yl)-
• CAS No.: 89770-20-7
• Molecular Formula: C₁₃H₈N₄O
• Molecular Weight: 236.233
• DSSTox Substance ID: DTXSID20453079
• Nikkaji Number: J634.889K
• Mol file: 89770-20-7.mol

Synonyms:89770-20-7;propanedinitrile, (2-amino-3-cyano-4H-1-benzopyran-4-yl)-;(2-amino-3-cyano-4h-chromene-4-yl)malononitrile;DTXSID20453079;2-Amino-3-cyano-4H-1-benzopyran-4-ylmalononitrile

Chemical Property of propanedinitrile, (2-amino-3-cyano-4H-1-benzopyran-4-yl)-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 236.06981089
• Heavy Atom Count: 18
• Complexity: 507

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C(=C(O2)N)C#N)C(C#N)C#N

Technology Process of propanedinitrile, (2-amino-3-cyano-4H-1-benzopyran-4-yl)-

There total 5 articles about propanedinitrile, (2-amino-3-cyano-4H-1-benzopyran-4-yl)- 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:

N-phenylsalicylaldimine (779-84-0) + malononitrile (109-77-3) → 2-(2-hydroxybenzylidene)malononitrile (6968-92-9) + 2-(2-amino-3-cyano-4H-chromen-4-yl)malononitrile (89770-20-7)

Guidance literature:

With quinine; In dichloromethane; at 20 ℃;

DOI:10.1002/chem.201100927

Reference yield:

salicylaldehyde (90-02-8) + malononitrile (109-77-3) → 3-cyano-2-iminocoumarin (36937-71-0) + 2-(2-amino-3-cyano-4H-chromen-4-yl)malononitrile (89770-20-7)

Guidance literature:

With C₁₅H₂₃N₃S; In dichloromethane; at 20 ℃; Molecular sieve;

DOI:10.1039/c2cc30731f

Reference yield:

salicylaldehyde (90-02-8) + malononitrile (109-77-3) → 3-cyano-2-iminocoumarin (36937-71-0) + C16H10N6O + 2-(2-amino-3-cyano-4H-chromen-4-yl)malononitrile (89770-20-7)

Guidance literature:

With tantalum mesostructured cellular foams modified with Li; at 29.84 ℃; Reagent/catalyst;

DOI:10.1016/j.cattod.2018.06.038

upstream raw materials:

N-phenylsalicylaldimine

malononitrile

salicylaldehyde

indole