3-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester
CAS Number: 26892-90-0
Product Number: AG003LJX(AGN-PC-0O8GNI)
Synonyms:
MDL No: MFCD00173406
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206

Identification/Properties


Properties
MP:
271 - 273 °C
BP:
343.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
217.074g/mol
Monoisotopic Mass:
217.074g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
335
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester is a versatile compound that finds wide application in chemical synthesis processes. Due to its unique structure and reactivity, this compound is commonly used as a building block in the synthesis of various organic molecules.One of the key applications of 3-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester is in the pharmaceutical industry, where it serves as a precursor for the synthesis of biologically active compounds. By utilizing the functional groups present in this molecule, chemists can modify its structure to create new drug candidates with potentially valuable therapeutic properties.In addition to its role in drug development, this compound is also utilized in the synthesis of agrochemicals and specialty chemicals. Its ability to undergo various chemical reactions, such as esterification, Friedel-Crafts acylation, and nucleophilic substitution, makes it a valuable starting material for creating complex molecules with specific functions.Overall, 3-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester is a crucial intermediate in the field of chemical synthesis, enabling the production of a wide range of compounds with diverse applications in pharmaceuticals, agrochemicals, and other industries.