112811-71-9 | Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$15.00	$10.00
1g	98%	in stock	$16.00	$11.00
5g	98%	in stock	$19.00	$13.00
25g	98%	in stock	$34.00	$24.00
100g	98%	in stock	$52.00	$36.00
500g	98%	in stock	$236.00	$165.00

Description

• Catalog Number: AB50408
• Chemical Name: Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
• CAS Number: 112811-71-9
• Molecular Formula: C16H15F2NO4
• Molecular Weight: 323.2914
• MDL Number: MFCD05864419
• SMILES: CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC)F)F

Computed Properties

• Complexity: 534
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• XLogP3: 2.9

Upstream Synthesis Route

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester is a versatile compound widely used in chemical synthesis. Its unique structure and properties make it an important building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. The presence of cyclopropyl, difluoro, and methoxy groups, along with the quinoline ring, imparts distinct reactivity and functionality to this compound.In chemical synthesis, 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester serves as a key intermediate for the production of quinolone-based antibiotics, antiviral agents, and anticancer drugs. Its cyclopropyl group can undergo ring-opening reactions to introduce additional functional groups, enabling the modification of the compound for specific applications. The difluoro substituents enhance the compound's bioavailability and metabolic stability, making it a valuable component in drug design.Furthermore, the ethyl ester functionality in this compound provides a convenient handle for further derivatization through esterification or hydrolysis reactions. By selectively modifying the ester group, chemists can tailor the compound's solubility, lipophilicity, and biological activity, expanding its potential uses in medicinal chemistry and material science.

Literature

• Ethyl 8-chloro-1-cyclo-propyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20111101

• Ethyl 1-cyclo-propyl-6,7-difluoro-8-meth-oxy-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20081101