2-Iminochromene-3-carbonitrile

Base Information

• Chemical Name: 2-Iminochromene-3-carbonitrile
• CAS No.: 36937-71-0
• Molecular Formula: C10H6N2O
• Molecular Weight: 170.17
• DSSTox Substance ID: DTXSID10349896
• Nikkaji Number: J726.276K
• Wikidata: Q69757843
• Mol file: 36937-71-0.mol

Synonyms:2-Imino-2H-chromene-3-carbonitrile;2-iminochromene-3-carbonitrile;36937-71-0;2-imino-2H-1-benzopyran-3-carbonitrile;SCHEMBL19635949;DTXSID10349896;AKOS003242144;3-CYANO-2-IMINO-2H-1-BENZOPYRAN

Chemical Property of 2-Iminochromene-3-carbonitrile

Chemical Property:

• PSA: 60.78000
• LogP: 1.88368
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.048012819
• Heavy Atom Count: 13
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

3-CYANO-2-IMINO-2H-1-BENZOPYRAN Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iminochromene-3-carbonitrile

There total 10 articles about 2-Iminochromene-3-carbonitrile 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: 100.0%

salicylaldehyde (90-02-8) + malononitrile (109-77-3) → 3-cyano-2-iminocoumarin (36937-71-0)

Guidance literature:

With copper oxide/reduced graphene oxide/titanium dioxide nanocomposite; In ethanol; at 20 ℃; for 0.5h; Reagent/catalyst; Wavelength; Catalytic behavior; Irradiation;

DOI:10.1039/d1nj05819c

Reference yield: 95.0%

2-methyl-benzyl alcohol (89-95-2) + malononitrile (109-77-3) → 3-cyano-2-iminocoumarin (36937-71-0)

Guidance literature:

With Amberlite IRA 900 (OH^-); In cyclohexane; for 1h; Heating;

DOI:10.1080/00397919908085966

Reference yield: 60.0%

salicylaldehyde (90-02-8) + Dimethyl phosphite (868-85-9) + malononitrile (109-77-3) → 3-cyano-2-iminocoumarin (36937-71-0) + dimethyl (2-amino-3-cyano-4H-chromen-4-yl)phosphonate

Guidance literature:

With dmap; In ethanol; for 5h; Mechanism;

DOI:10.1016/j.tet.2013.10.052

upstream raw materials:

salicylaldehyde

malononitrile

2-methyl-benzyl alcohol

triethyl phosphite

Downstream raw materials:

3-cyanocoumarin

4-amino-2-phenyl-chromeno[3,4-c]pyridin-5-ylideneamine

2-amino-4-(phenylsulfanyl)-4H-chromene-3-carbonitrile

2-oxo-2H-chromene-3-carboxylic acid