CAS 6036-47-1

Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, hydrate (1:3)

Description:

Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, hydrate (1:3), identified by CAS number 6036-47-1, is a complex organic compound characterized by its multi-functional structure. It features a benzoic acid moiety, which contributes to its acidic properties, and several methoxy groups that enhance its solubility and reactivity. The presence of a dimethylamino group suggests potential basicity and the ability to participate in various chemical reactions, including nucleophilic substitutions. The compound is likely to exhibit hydrophilic characteristics due to the hydration component, which may influence its solubility in water and organic solvents. Additionally, the benzodioxole structure may impart unique electronic properties, making it of interest in medicinal chemistry and material science. Overall, this compound's intricate structure and functional groups suggest potential applications in pharmaceuticals, particularly in drug design and development, where its biological activity could be explored.

Formula: C₂₃H₂₇NO₈·3H₂O

InChI: InChI=1S/C23H27NO8.3H2O/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27;;;/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27);3*1H2

InChI key: InChIKey=MYBNKRVFDPXQSN-UHFFFAOYSA-N

SMILES: C(C(=O)C1=C(C(O)=O)C(OC)=C(OC)C=C1)C=2C(OC)=C3C(=CC2CCN(C)C)OCO3.O

Synonyms:

• Narceine trihydrate
• Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, trihydrate
• Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, hydrate (1:3)
• o-Veratric acid, 6-[[6-[2-(dimethylamino)ethyl]-2-methoxy-3,4-(methylenedioxy)phenyl]acetyl]-, trihydrate

Narceine trihydrate

CAS: 6036-47-1

Narceine trihydrate is a versatile building block that can be used as a reagent in organic synthesis or as a speciality chemical. It has been used to synthesize drugs, such as the anti-malarial drug chloroquine, and is also useful in the preparation of research chemicals. Narceine trihydrate is also an intermediate for the synthesis of other drugs, such as L-DOPA and caffeine. It has a high purity level and many uses in various reactions.

Formula: C₂₃H₂₇NO₈·3H₂O

Purity: (Ex Nitrogen Content) Min. 98%

Color and Shape: White Powder

Molecular weight: 499.51 g/mol

Ref: 3D-FN66066