3-Cyano-6-ethylchromone

Base Information

• Chemical Name: 3-Cyano-6-ethylchromone
• CAS No.: 50743-19-6
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.209
• Hs Code.: 2926909090
• European Community (EC) Number: 637-138-1
• DSSTox Substance ID: DTXSID50409387
• Nikkaji Number: J1.915.377K
• Mol file: 50743-19-6.mol

Synonyms:50743-19-6;3-Cyano-6-ethylchromone;6-ETHYL-4-OXO-4H-CHROMENE-3-CARBONITRILE;6-ethyl-4-oxochromene-3-carbonitrile;6-Ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile;SCHEMBL8080196;DTXSID50409387;GRYXAOXVOYEENX-UHFFFAOYSA-N;6-ETHYL-4-OXO-4H-1-BENZOPYRAN-3-CARBO-NITRILE,99;MFCD00191959;AKOS006230687;BS-42347

Chemical Property of 3-Cyano-6-ethylchromone

Chemical Property:

• Melting Point: 123-125 °C(lit.)
• PSA: 54.00000
• LogP: 2.22708
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 350

Purity/Quality:

98%Min ^*data from raw suppliers

6-Ethyl-4-oxo-4H-chromene-3-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)OC=C(C2=O)C#N

Technology Process of 3-Cyano-6-ethylchromone

There total 1 articles about 3-Cyano-6-ethylchromone 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:

6-ethyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde (42059-78-9) → 6-ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile (50743-19-6) + (5-ethyl-2-hydroxy-phenyl)-isoxazol-4-yl-methanone (53658-18-7)

Guidance literature:

With hydrogenchloride; hydroxylamine hydrochloride; In ethanol;

DOI:10.1016/S0040-4039(01)82441-2

Reference yield: 92.0%

6-ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile (50743-19-6) + malononitrile (109-77-3) → 2-amino-7-ethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile (68302-09-0)

Guidance literature:

With piperidine; In ethanol; for 2.5h; Heating;

Reference yield: 74.0%

6-ethyl-4-oxo-4H-1-benzopyran-3-carbonitrile (50743-19-6) → 2-amino-6-ethyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde (68301-76-8)

Guidance literature:

With morpholine; water; In N,N-dimethyl-formamide; at 60 ℃; for 2h;

DOI:10.1021/jm50001a005

upstream raw materials:

6-ethyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde

Downstream raw materials:

6-Ethyl-(1H-tetrazol-5-yl)chromon

2-amino-6-ethyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde

2-amino-7-ethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile

7-ethyl-5H-[1]-benzopyrano [2,3-b] pyridin-5-one

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