4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-

Base Information

• Chemical Name: 4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-
• CAS No.: 445291-56-5
• Molecular Formula: C17H13NO3
• Molecular Weight: 279.295
• ChEMBL ID: CHEMBL3220041
• DSSTox Substance ID: DTXSID10465540
• Nikkaji Number: J1.709.956F
• Wikidata: Q82291568
• Mol file: 445291-56-5.mol

Synonyms:445291-56-5;2-(methyl(phenyl)amino)-4-oxo-4H-chromene-3-carbaldehyde;2-[methyl(phenyl)amino]-4-oxo-4H-chromene-3-carbaldehyde;4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-;CHEMBL3220041;DTXSID10465540;2-(N-methylanilino)-3-formylchromone

Chemical Property of 4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.08954328
• Heavy Atom Count: 21
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3O2)C=O

Technology Process of 4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-

There total 7 articles about 4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo- 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: 98.0%

4-oxo-2-(N-phenyl)amino-4H-chromene-3-carbaldehyde (213273-03-1) + methyl iodide (74-88-4) → 2-(N-methyl-N-phenyl)aminochromone-3-carboxaldehyde (445291-56-5)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Heating;

DOI:10.1016/S0040-4020(02)00128-X

Reference yield: 87.0%

4-oxo-2-(N-phenyl)amino-4H-chromene-3-carbaldehyde (213273-03-1) → 2-(N-methyl-N-phenyl)aminochromone-3-carboxaldehyde (445291-56-5)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; for 7h; Reflux;

DOI:10.1055/s-0030-1260977

Reference yield:

3-Formylchromone (17422-74-1) → 2-(N-methyl-N-phenyl)aminochromone-3-carboxaldehyde (445291-56-5)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium chloride; zinc

2: ethanol / 2 h / Heating

3: potassium carbonate; sodium iodide / acetonitrile / 7 h / Reflux

With potassium carbonate; ammonium chloride; sodium iodide; zinc; In ethanol; acetonitrile;

DOI:10.1055/s-0030-1260977

upstream raw materials:

4-oxo-2-(N-phenyl)amino-4H-chromene-3-carbaldehyde

methyl iodide

3-Formylchromone

C-(4-oxo-4H<1>benzopyran-3-yl)-N-phenylnitrone

Downstream raw materials:

2-(p-anisylamino)-3-formylchromone

3-(2-hydroxybenzoyl)-1-methylquinolin-2(1H)-one

Bis-<1>benzopyrano<2,3-b:3',2'-e>pyridin-5(5H),7(7H)-dion

ethyl (2E)-3-{2-{benzyl[(2E)-3-phenylprop-2-enyl]amino}-4-oxo-4H-1-benzopyran-3-yl}prop-2-enoate