3-Cyano-7-(diethylamino)coumarin

Base Information

• Chemical Name: 3-Cyano-7-(diethylamino)coumarin
• CAS No.: 51473-74-6
• Molecular Formula: C14H14N2O2
• Molecular Weight: 242.277
• Hs Code.: 2932209090
• European Community (EC) Number: 808-021-4
• DSSTox Substance ID: DTXSID60350997
• Nikkaji Number: J1.761.570J
• Wikidata: Q27208929
• Metabolomics Workbench ID: 74178
• ChEMBL ID: CHEMBL1596400
• Mol file: 51473-74-6.mol

Synonyms:51473-74-6;3-CYANO-7-(DIETHYLAMINO)COUMARIN;7-(diethylamino)-2-oxochromene-3-carbonitrile;7-(diethylamino)-2-oxo-2H-chromene-3-carbonitrile;7-(Diethylamino)coumarin-3-carbonitrile;MLS000711927;SMR000281694;7-(diethylamino)-2-oxo-1-benzopyran-3-carbonitrile;7-Diethylamino-2-oxo-2H-chromene-3-carbonitrile;Oprea1_330834;Oprea1_417770;cid_688937;IFLab1_001303;SCHEMBL6282516;CHEMBL1596400;BDBM52574;DTXSID60350997;CHEBI:120788;HMS1415L05;HMS2659P17;BCA47374;MFCD00068688;STL303916;AKOS000589036;IDI1_009170;AS-60934;CS-0061510;D4462;W17266;7-(diethylamino)-2-keto-chromene-3-carbonitrile;3-Cyano-7-(diethylamino)-2H-1-benzopyran-2-one;A913074;SR-01000319824;SR-01000319824-1;Q27208929;7-(diethylamino)-2-oxidanylidene-chromene-3-carbonitrile;2H-1-Benzopyran-3-carbonitrile, 7-(diethylamino)-2-oxo-

Chemical Property of 3-Cyano-7-(diethylamino)coumarin

Chemical Property:

• Melting Point: 228.0 to 232.0 °C
• PSA: 57.24000
• LogP: 2.51088
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.105527694
• Heavy Atom Count: 18
• Complexity: 403

Purity/Quality:

97% ^*data from raw suppliers

7-(Diethylamino)coumarin-3-carbonitrile >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

Technology Process of 3-Cyano-7-(diethylamino)coumarin

There total 16 articles about 3-Cyano-7-(diethylamino)coumarin 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: 92.0%

4-(Diethylamino)salicylaldehyde (17754-90-4) + ethyl 2-cyanoacetate (105-56-6) → 7-(diethylamino)-2-oxo-2H-chromene-3-carbonitrile (51473-74-6)

Guidance literature:

With amino acid fuctionalized Fe₃O₄ nanoparticles(Fe₃O₄-DA-Phe); In neat (no solvent); at 130 ℃; for 0.1h; Microwave irradiation; Green chemistry;

DOI:10.2174/15701786113109990002

Reference yield: 85.0%

4-(Diethylamino)salicylaldehyde (17754-90-4) + cyanoacetic acid (372-09-8) → 7-(diethylamino)-2-oxo-2H-chromene-3-carbonitrile (51473-74-6)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In acetic acid butyl ester; ethyl acetate; at 120 ℃;

DOI:10.1016/j.tetlet.2012.06.037

Reference yield: 85.0%

4-(Diethylamino)salicylaldehyde (17754-90-4) + methyl 2-cyanoacetate (105-34-0) → 7-(diethylamino)-2-oxo-2H-chromene-3-carbonitrile (51473-74-6)

Guidance literature:

With 1-(2-OPPh₂-propyl)-3-methylimidazolium hexafluorophosphate; at 60 ℃; for 0.333333h;

DOI:10.1080/00397910903097310

upstream raw materials:

7-diethylamino-2-imino-2H-1-benzopyran-3-carbonitrile

7-Diethylamino-2-imino-2H-chromene-3-carboxylic acid amide

2-cyano-3-(4-diethylamino-2-acetoxyphenyl)acrylonitrile

4-(Diethylamino)salicylaldehyde

Downstream raw materials:

7-diethylamino-2H-benzopyran-2-one

7-(diethylamino)coumarin-3-carboxylic acid