2-Amino-6-chloro-3-formylchromone

Base Information

• Chemical Name: 2-Amino-6-chloro-3-formylchromone
• CAS No.: 68301-77-9
• Molecular Formula: C10H6ClNO3
• Molecular Weight: 223.6125
• European Community (EC) Number: 623-533-6
• DSSTox Substance ID: DTXSID90351013
• Nikkaji Number: J3.021.788H
• Wikidata: Q82127103
• Mol file: 68301-77-9.mol

Synonyms:2-Amino-6-chloro-3-formylchromone;68301-77-9;2-amino-6-chloro-4-oxo-4h-chromene-3-carbaldehyde;2-amino-6-chloro-4-oxochromene-3-carbaldehyde;Oprea1_307361;SCHEMBL11360521;2-Amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde;DTXSID90351013;MFCD00139140;AKOS005097057;2-Amino-6-chloro-3-formylchromone, 97%;2-Amino-6-chlorochromone-3-carboxaldehyde;CS-0314621;FT-0641174;6C-044;T71221;A836091;2-amino-6-chloro-4-oxo-1-benzopyran-3-carboxaldehyde;2-azanyl-6-chloranyl-4-oxidanylidene-chromene-3-carbaldehyde

Chemical Property of 2-Amino-6-chloro-3-formylchromone

Chemical Property:

• Appearance/Colour: Yellow-orange powder
• Vapor Pressure: 3.39E-08mmHg at 25°C
• Melting Point: >300oC(lit.)
• Boiling Point: 447.3°Cat760mmHg
• PKA: 1.38±0.20(Predicted)
• Flash Point: 224.3°C
• PSA: 73.30000
• Density: 1.606g/cm³
• LogP: 2.42230
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.0036207
• Heavy Atom Count: 15
• Complexity: 340

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=C(O2)N)C=O

Technology Process of 2-Amino-6-chloro-3-formylchromone

There total 3 articles about 2-Amino-6-chloro-3-formylchromone 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: 67.0%

6-chloro-3-cyanochromone (50743-20-9) → 2-amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (68301-77-9)

Guidance literature:

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

Reference yield: 14.0%

6-chloro-3-cyanochromone (50743-20-9) + chloroacetone (78-95-5) → 2-amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (68301-77-9) + 3,6-Dichloro-2-methyl-9-oxa-1-aza-anthracen-10-one

Guidance literature:

With aluminum oxide; In dichloromethane; for 8h; Ambient temperature;

Reference yield: 13.0%

6-chloro-3-cyanochromone (50743-20-9) + ethylenediamine (107-15-3,85404-18-8) → 1-(5-Chloro-2-hydroxy-phenyl)-2-imidazolidin-2-ylidene-ethanone (73262-07-4) + 2-amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (68301-77-9)

Guidance literature:

In ethanol; for 3h; Heating;

DOI:10.1021/jo01298a042

upstream raw materials:

6-chloro-3-cyanochromone

ethylenediamine

chloroacetone

Downstream raw materials:

8-Chloro-2-methyl-3,5-dioxa-1,4-diaza-cyclopenta[b]anthracen-10-one