CAS 1180493-26-8

Benzoic acid, 3,5-dinitro-, compd. with (γR)-γ-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine (1:1)

Description:

Benzoic acid, 3,5-dinitro-, compound with (γR)-γ-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine (1:1), is a complex organic compound characterized by its unique structural features and functional groups. The presence of the dinitro substituents on the benzoic acid moiety enhances its reactivity and polar character, making it more soluble in polar solvents. The compound also contains a pyridine-based amine, which contributes to its basicity and potential for forming hydrogen bonds. This combination of functionalities may impart specific biological activities, making it of interest in pharmaceutical research. The compound's molecular interactions can be influenced by the presence of the chlorophenyl group, which can affect its electronic properties and steric hindrance. Overall, this compound's characteristics suggest potential applications in medicinal chemistry, particularly in the design of targeted therapies or as intermediates in organic synthesis. However, detailed studies on its stability, reactivity, and biological effects would be necessary to fully understand its properties and potential uses.

Formula: C₁₆H₁₉ClN₂·C₇H₄N₂O₆

InChI: InChI=1S/C16H19ClN2.C7H4N2O6/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-9,11,15H,10,12H2,1-2H3;1-3H,(H,10,11)/t15-;/m1./s1

InChI key: InChIKey=JSXNSMMRWKWCFR-XFULWGLBSA-N

SMILES: [C@@H](CCN(C)C)(C1=CC=C(Cl)C=C1)C2=CC=CC=N2.C(O)(=O)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1

Synonyms:

• Benzoic acid, 3,5-dinitro-, compd. with (γR)-γ-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine (1:1)

(R)-Chloropheniramine 3,5-Dinitrobenzoic Acid

Controlled Product

CAS: 1180493-26-8

Applications (R)-Chloropheniramine 3,5-Dinitrobenzoic Acid is an intermediate used in the synthesis of (R)-(-)-Chlorpheniramine Maleate (C424306), which is the R-enantiomer of Chlorpheniramine (C424300). Antihistaminic.
References Ishida, M., et al.: Int. J. Pharm., 359, 46 (2008), Moreno, R., et al.: Biomed. Chromatog., 24, 774 (2010), Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010),

Formula: C₁₆H₁₉ClN₂·C₇H₄N₂O₆

Color and Shape: Neat

Molecular weight: 274.79 + 212.12

Ref: TR-C424298