2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

Base Information

• Chemical Name: 2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
• CAS No.: 499785-45-4
• Molecular Formula: C15H12N2O3
• Molecular Weight: 268.27
• DSSTox Substance ID: DTXSID80384633
• ChEMBL ID: CHEMBL1710000
• Mol file: 499785-45-4.mol

Synonyms:2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile;499785-45-4;2-amino-4-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;Maybridge3_002470;Oprea1_592719;MLS001181836;CHEMBL1710000;DTXSID80384633;HMS1438A06;HMS2871C15;MFCD01578899;CCG-237896;IDI1_013857;SMR000567571;FT-0611110;J-507858;2-Amino-4-ethyl-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile

Chemical Property of 2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

Chemical Property:

• Vapor Pressure: 7.92E-13mmHg at 25°C
• Melting Point: 233 °C
• Refractive Index: 1.648
• Boiling Point: 565.9°C at 760 mmHg
• Flash Point: 296.1°C
• PSA: 89.25000
• Density: 1.38g/cm³
• LogP: 3.07318
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 268.08479225
• Heavy Atom Count: 20
• Complexity: 567

Purity/Quality:

98%min ^*data from raw suppliers

2-AMINO-4-ETHYL-5-OXO-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N

Technology Process of 2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

There total 2 articles about 2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]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: 90.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + propionaldehyde (123-38-6) + malononitrile (109-77-3) → 2-amino-4-ethyl-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile (499785-45-4)

Guidance literature:

With 30C₂H₃O₂^(1-)*42H⁽¹⁺⁾*72H₂O*42H₃N*Mo₄₉₁₀₄O₁₃₂^(1584-); In ethanol; water; at 20 ℃; for 0.416667h;

DOI:10.1002/aoc.3479

Reference yield:

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + propylidenemalonitrile (52833-34-8) → 2-amino-4-ethyl-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile (499785-45-4)

Guidance literature:

With (2-aminomethyl)phenol moiety on the surface of hydroxyapatite encapsulated maghemite (γ-Fe₂O₃); In water; Reflux;

DOI:10.1016/j.ejmech.2013.07.045

upstream raw materials:

4-hydroxy[1]benzopyran-2-one

propylidenemalonitrile

propionaldehyde

malononitrile