6,8-Dichloro-3-cyanochromone

Base Information

• Chemical Name: 6,8-Dichloro-3-cyanochromone
• CAS No.: 72798-32-4
• Molecular Formula: C10H3 Cl2 N O2
• Molecular Weight: 240.04
• European Community (EC) Number: 623-142-0
• DSSTox Substance ID: DTXSID90352909
• Nikkaji Number: J1.252.757H
• Wikidata: Q82130330
• Mol file: 72798-32-4.mol

Synonyms:6,8-Dichloro-3-cyanochromone;72798-32-4;6,8-dichloro-4-oxo-4h-chromene-3-carbonitrile;6,8-dichloro-4-oxochromene-3-carbonitrile;6,8-Dichloro-4-oxo-4H-1-benzopyran-3-carbonitrile;6,8-Dichlorochromone-3-carbonitrile;3-Cyano-6,8-dichlorochromon;SCHEMBL981569;DTXSID90352909;YERQUFAYRCSXEQ-UHFFFAOYSA-N;MFCD00192004;6,8-Dichloro-3-cyanochromone, 97%;AKOS015889613;C3178;CS-0331215;FT-0641423;D89546;6,8-dichloro-4-oxo-1-benzopyran-3-carbonitrile;A837621;6,8-bis(chloranyl)-4-oxidanylidene-chromene-3-carbonitrile

Chemical Property of 6,8-Dichloro-3-cyanochromone

Chemical Property:

• Vapor Pressure: 1.85E-07mmHg at 25°C
• Melting Point: 169-174 °C(lit.)
• Refractive Index: 1.649
• Boiling Point: 425.9ºC at 760 mmHg
• Flash Point: 211.4ºC
• PSA: 54.00000
• Density: 1.6g/cm3
• LogP: 2.97148
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 238.9540837
• Heavy Atom Count: 15
• Complexity: 371

Purity/Quality:

97% ^*data from raw suppliers

6,8-Dichloro-3-cyanochromone ^*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=C(C=C(C2=C1C(=O)C(=CO2)C#N)Cl)Cl

Technology Process of 6,8-Dichloro-3-cyanochromone

There total 1 articles about 6,8-Dichloro-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: 49.0%

6,8-dichloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-O-methyl oxime → 6,8-dichloro-4-oxo-4H-1-benzopyran-3-carbonitrile (72798-32-4)

Guidance literature:

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

DOI:10.1021/jo991031j

Reference yield: 78.0%

C13H15NO4 + 6,8-dichloro-4-oxo-4H-1-benzopyran-3-carbonitrile (72798-32-4) → ((2R,3R)-3-Allyl-6,8-dichloro-3-cyano-4-oxo-chroman-2-yl)-phenyl-carbamic acid ethyl ester

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1021/jo061110c

Reference yield: 63.0%

Cyclohexyl isocyanide (931-53-3) + dimethyl acetylenedicarboxylate (762-42-5) + 6,8-dichloro-4-oxo-4H-1-benzopyran-3-carbonitrile (72798-32-4) → tetramethyl (1Z,3aR,5’Z,9R,9aS)-5,7-dichloro-9a-cyano-1,5’-bis(cyclohexylimino)-3a,9a-dihydro-1H,5’H-spiro[cyclopenta[b]chromene-9,2’-furan]-2,3,3’,4’-tetracarboxylate

Guidance literature:

In toluene; at 40 ℃; for 12h;

DOI:10.1021/jo3014947

Downstream raw materials:

dimethyl 5,7-dichloro-5'-cyano-4'-(cyclohexylamino)-3-oxo-3H-spiro[benzofuran-2,1'-cyclopenta[2,4]diene]-2',3'-dicarboxylate

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