CAS 171596-41-1

Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Description:

Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, with CAS number 171596-41-1, is a complex organic compound characterized by its unique bicyclic structure that incorporates both a pyridoindole and a benzodioxole moiety. This compound features a tetrahydro-pyrido framework, which contributes to its potential biological activity. The presence of the carboxylate ester functional group suggests that it may exhibit properties typical of esters, such as volatility and reactivity with nucleophiles. The stereochemistry indicated by the (1R,3R) configuration implies specific spatial arrangements that could influence its interaction with biological targets, potentially affecting its pharmacological profile. Methyl esters are often used in medicinal chemistry due to their ability to enhance solubility and bioavailability. Overall, this compound may be of interest in research related to pharmacology, particularly in the development of new therapeutic agents, although specific biological activities and applications would require further investigation.

Formula: C₂₀H₁₈N₂O₄

InChI: InChI=1S/C20H18N2O4/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,21-22H,9-10H2,1H3/t15-,18-/m1/s1

InChI key: InChIKey=LIPVUDSNGRJSQE-CRAIPNDOSA-N

SMILES: C(OC)(=O)[C@H]1CC2=C([C@H](N1)C=3C=C4C(=CC3)OCO4)NC=5C2=CC=CC5

Synonyms:

• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1R-cis)-
• 1H-pyrido[3,4-B]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)-
• 1H-pyrido[3,4-B]indole-3-carboxylicacid, 1-(1,3-benzodioxol-5-YL)-2,3,4,9-tetrahydro-methylester,(1R,3R)-
• Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
• methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

CAS: 171596-41-1

Formula: C₂₀H₁₈N₂O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 350.3679

Ref: IN-DA00ABZT

(1R,3R)-Methyl-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate

Controlled Product

CAS: 171596-41-1

Applications An intermediate and impurity in the synthesis of Tadalafil (T004500).
References Carrier, S., et al.: Can. J. Urol., 10(1), 12 (2003),

Formula: C₂₀H₁₈N₂O₄

Color and Shape: Neat

Molecular weight: 350.37

Ref: TR-M330150