CAS 131448-17-4

3-Pyridine-2,6-d2-carboxylic acid, 1,2,5,6-tetrahydro-1-(methyl-d3)-, methyl ester

Description:

3-Pyridine-2,6-d2-carboxylic acid, 1,2,5,6-tetrahydro-1-(methyl-d3)-, methyl ester, identified by CAS number 131448-17-4, is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. The presence of deuterium (d2) indicates that the compound has two hydrogen atoms replaced by deuterium, a stable isotope of hydrogen, which can be useful in various applications, including NMR spectroscopy. The tetrahydro structure suggests that the compound contains a saturated cyclic component, contributing to its overall stability and reactivity. As a methyl ester, it features a carboxylic acid functional group esterified with methanol, which can influence its solubility and reactivity in organic reactions. This compound may be of interest in medicinal chemistry and synthetic organic chemistry due to its unique isotopic labeling and structural features, potentially serving as a precursor or intermediate in the synthesis of more complex molecules.

Formula: C₈H₈D₅NO₂

InChI: InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3/i1D3,5D,6D

InChI key: InChIKey=HJJPJSXJAXAIPN-GGCIUVQJSA-N

SMILES: C(OC)(=O)C=1C(N(C([2H])([2H])[2H])C(CC1)[2H])[2H]

Synonyms:

• 3-Pyridine-2,6-d2-carboxylic acid, 1,2,5,6-tetrahydro-1-(methyl-d3)-, methyl ester

3-Pyridine-2,6-d2-carboxylic acid, 1,2,5,6-tetrahydro-1-(methyl-d3)-, methyl ester (9CI)

CAS: 131448-17-4

Formula: C₈H₈D₅NO₂

Molecular weight: 160.2251

Ref: IN-DA000W7X