2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
• CAS No.: 107752-90-9
• Molecular Formula: C₁₆H₁₃FN₂O₂
• Molecular Weight: 284.29
• DSSTox Substance ID: DTXSID101131174
• Mol file: 107752-90-9.mol

Synonyms:2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;107752-90-9;DTXSID101131174;STK044672;AKOS000558463;AKOS022085490;2-Amino-4-(3-fluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;AB00074075-01;SR-01000408358;SR-01000408358-1;2-Amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile;2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile #;Chromane-3-carbonitrile, 2,3-dehydro-5,6,7,8-tetrahydro-2-amino-4-(3-fluorophenyl)-5-oxo-

Chemical Property of 2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 284.09610582
• Heavy Atom Count: 21
• Complexity: 584

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)C1

Technology Process of 2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

There total 3 articles about 2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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: 85.0%

1,3-cylohexanedione (504-02-9) + malononitrile (109-77-3) + 3-Fluorobenzaldehyde (456-48-4) → 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (107752-90-9)

Guidance literature:

With ethylenediammonium diformate; at 20 ℃; for 0.133333h; Green chemistry;

DOI:10.1039/c3ra42410c

Reference yield: 79.0%

3-fluorobenzylidenemalononitrile (2972-71-6) + 1,3-cylohexanedione (504-02-9) → 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (107752-90-9)

Guidance literature:

With morpholine; In ethanol; Heating;

Reference yield:

→ 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (107752-90-9)

Guidance literature:

With dmap; Reflux;

upstream raw materials:

3-fluorobenzylidenemalononitrile

1,3-cylohexanedione

malononitrile

3-Fluorobenzaldehyde