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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-Quinolinecarboxylic acid, 6-chloro-1,4-dihydro-4-oxo-, ethyl ester

CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)Cl Request for Quotation
Chemical Name: 3-Quinolinecarboxylic acid, 6-chloro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number: 79607-22-0
Product Number: AG008LVW(AGN-PC-0JVE6I)
Synonyms:
MDL No:
Molecular Formula: C12H10ClNO3
Molecular Weight: 251.6657

Identification/Properties

Computed Properties
Molecular Weight:
251.666g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
251.035g/mol
Monoisotopic Mass:
251.035g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
367
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate is a versatile compound commonly employed in chemical synthesis for the preparation of various pharmaceuticals, agrochemicals, and advanced materials. This compound serves as a key building block in the synthesis of heterocyclic compounds with broad utility in medicinal chemistry and material science. The presence of the chloro and carbonyl functionalities in this structure allows for diverse chemical transformations, enabling the introduction of various substituents to modulate its physicochemical properties and biological activities. In organic synthesis, Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate is utilized as a precursor for the synthesis of complex molecules through cyclization, condensation, and functional group interconversions. Its structural features make it an essential intermediate in the development of novel compounds with potential applications in drug discovery and materials science research.