6-Chloro-3-cyanochromone

Base Information

• Chemical Name: 6-Chloro-3-cyanochromone
• CAS No.: 50743-20-9
• Molecular Formula: C10H4ClNO2
• Molecular Weight: 205.6
• Hs Code.: 2926909090
• European Community (EC) Number: 622-184-7
• DSSTox Substance ID: DTXSID30352908
• Nikkaji Number: J926.457D
• Wikidata: Q82130327
• Mol file: 50743-20-9.mol

Synonyms:6-Chloro-3-cyanochromone;50743-20-9;6-chloro-4-oxo-4h-chromene-3-carbonitrile;6-chloro-4-oxochromene-3-carbonitrile;MFCD00191905;6-Chlorochromone-3-carbonitrile;SCHEMBL10991271;DTXSID30352908;6-Chloro-3-cyanochromone, 98%;AKOS016368145;CS-0367379;FT-0639940;4-Oxo-6-chloro-4H-1-benzopyran-3-carbonitrile;A828278

Chemical Property of 6-Chloro-3-cyanochromone

Chemical Property:

• Vapor Pressure: 2.7E-06mmHg at 25°C
• Melting Point: 209-211 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 390.2ºC at 760 mmHg
• Flash Point: 189.8ºC
• PSA: 54.00000
• Density: 1.48g/cm3
• LogP: 2.31808
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 204.9930561
• Heavy Atom Count: 14
• Complexity: 341

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Chloro-3-cyanochromone 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: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C#N

Technology Process of 6-Chloro-3-cyanochromone

There total 6 articles about 6-Chloro-3-cyanochromone 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: 65.0%

6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-O-methyl oxime → 6-chloro-3-cyanochromone (50743-20-9)

Guidance literature:

With 4 A molecular sieve; sulfuric acid; In benzene; Heating;

DOI:10.1021/jo991031j

Reference yield: 63.0%

6-Chloro-4-oxo-4H-chromene-3-carbaldehyde (42248-31-7) → 6-chloro-3-cyanochromone (50743-20-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium iodide; In acetonitrile; for 2h; Heating;

DOI:10.1080/00304940409355968

Reference yield: 56.0%

<(chlorosulfinyloxy)methylene>dimethylammonium chloride (25575-32-0) + 6-chloro-4-oxo-4H-chromene-3-carbaldehyde oxime → 6-chloro-3-cyanochromone (50743-20-9)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1515/HC.2004.10.4-5.279

upstream raw materials:

6-Chloro-4-oxo-4H-chromene-3-carbaldehyde

<(chlorosulfinyloxy)methylene>dimethylammonium chloride

C₁₀H₆ClNO₂

5-chloro-2-hydroxyacetophenone

Downstream raw materials:

6-chloro-3-(1H-tetrazol-5-yl)-chromen-4-one

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

1-(5-Chloro-2-hydroxy-phenyl)-2-imidazolidin-2-ylidene-ethanone

4'-benzyl-5-chloro-6'-cyano-2'-fluoro-3'-hydroxybiphenyl-2-yl ethyl carbonate

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