CAS 345909-99-1

3-Pyridine-2,4,5,6-d4-carboxylic acid, methyl ester

Description:

3-Pyridine-2,4,5,6-d4-carboxylic acid, methyl ester, is a deuterated derivative of pyridine-2,4,5,6-carboxylic acid, which is characterized by the presence of a methyl ester functional group attached to the carboxylic acid. The deuteration indicates that hydrogen atoms in specific positions of the molecule have been replaced with deuterium, a stable isotope of hydrogen, which can be useful in various analytical techniques, including NMR spectroscopy. This compound typically exhibits properties associated with pyridine derivatives, such as moderate polarity and the ability to participate in hydrogen bonding due to the carboxylic acid moiety. Its methyl ester form enhances its lipophilicity, making it more soluble in organic solvents. The presence of the pyridine ring contributes to its aromatic character, which can influence its reactivity and interactions in chemical reactions. This compound may be utilized in pharmaceutical research, organic synthesis, and as a tracer in studies involving metabolic pathways due to its isotopic labeling.

Formula: C₇H₃D₄NO₂

InChI: InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3/i2D,3D,4D,5D

InChI key: InChIKey=YNBADRVTZLEFNH-QFFDRWTDSA-N

SMILES: C(OC)(=O)C=1C(=C(C(=NC1[2H])[2H])[2H])[2H]

Synonyms:

• 3-Pyridine-2,4,5,6-d4-carboxylic acid, methyl ester

Methyl Nicotinate-2,4,5,6-d4

CAS: 345909-99-1

Purity: 98 atom % D

Color and Shape: White Solid

Molecular weight: 141.16

Ref: 3U-D2818

Methyl Nicotinate-2,4,5,6-d4

Controlled Product

CAS: 345909-99-1

Applications Methyl nicotinate-2,4,5,6-d4 is a labelled form of methyl nicotinate (M323240), a useful synthetic intermediate, which can be used to prepare biarylcarboxamide inhibitors of phosphodiesterase IV and tumor necrosis factor-α in treatment of rheumatoid arthritis.
References Chambers, R., et al.: Bioorg. Med. Chem. Lett., 7, 739 (1997).

Formula: C₇D₄H₃NO₂

Color and Shape: Neat

Molecular weight: 141.16

Ref: TR-M323241