CAS 204254-90-0: Ethyl (3aR,7R,7aR)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

Description: Ethyl (3aR,7R,7aR)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate is a complex organic compound characterized by its unique structural features, including a benzodioxole core and multiple functional groups. The presence of diethyl groups contributes to its hydrophobic characteristics, while the methylsulfonyl group enhances its solubility in polar solvents. This compound is likely to exhibit interesting pharmacological properties due to its structural complexity, which may influence its interaction with biological targets. The stereochemistry indicated by the (3aR,7R,7aR) configuration suggests specific spatial arrangements that could affect its biological activity and reactivity. Additionally, the ethyl ester functional group may influence its stability and reactivity in various chemical environments. Overall, this compound's unique combination of features makes it a subject of interest in medicinal chemistry and drug development, although specific biological activities would require further investigation through empirical studies.

Formula: C₁₅H₂₄O₇S

InChI: InChI=1S/C15H24O7S/c1-5-15(6-2)20-11-8-10(14(16)19-7-3)9-12(13(11)21-15)22-23(4,17)18/h8,11-13H,5-7,9H2,1-4H3/t11-,12-,13-/m1/s1

InChI key: InChIKey=ACWOABVIOKTVCQ-JHJVBQTASA-N

SMILES: O=C(OCC)C1=CC2OC(OC2C(OS(=O)(=O)C)C1)(CC)CC

Synonyms:

• 1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-, ethyl ester, [3aR-(3aα,7α,7aα)]-
• 1,3-benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-
• Ethyl (3aR,7R,7aR)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate
• Ethyl (3aR,7R,7aR)-2,2-diethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Oseltamivir Impurity 58

CAS: 204254-90-0

• Formula: C₁₅H₂₄O₇S
• Molecular weight: 348.41

(3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester

CAS: 204254-90-0

Applications (3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester is an analog of (1R,5S,6S)-rel-5-(1-Ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Methyl Ester (E925665) which …

• Formula: C₁₅H₂₄O₇S
• Color and Shape: Neat
• Molecular weight: 348.41

Ethyl (3aR,7R,7aR)-2,2-diethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

CAS: 204254-90-0

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• Formula: C₁₅H₂₄O₇S
• Purity: Min. 95%
• Molecular weight: 348.4 g/mol