CAS 204254-84-2

Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

Description:

Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate, with CAS number 204254-84-2, is a chemical compound characterized by its complex bicyclic structure, which includes a benzodioxole moiety. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and it is further modified by the presence of a methylsulfonyl group, which enhances its solubility and reactivity. The ethyl ester functional group contributes to its potential applications in medicinal chemistry, particularly in drug development. The stereochemistry, denoted by the (3aR,7R,7aR) configuration, suggests specific spatial arrangements that may influence the compound's biological activity and interactions with biological targets. Overall, this compound's unique structural features and functional groups may provide valuable insights into its pharmacological properties and potential therapeutic uses.

Formula: C₁₃H₂₀O₇S

InChI: InChI=1/C13H20O7S/c1-5-17-12(14)8-6-9-11(19-13(2,3)18-9)10(7-8)20-21(4,15)16/h6,9-11H,5,7H2,1-4H3/t9-,10-,11-/m1/s1

InChI key: InChIKey=VSLJKWHERQGBEK-GMTAPVOTSA-N

SMILES: O(S(C)(=O)=O)[C@H]1[C@]2([C@@](C=C(C(OCC)=O)C1)(OC(C)(C)O2)[H])[H]

Synonyms:

• 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester, [3aR-(3aα,7α,7aα)]-
• 1,3-benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-
• Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate
• Ethyl 3,4-O-isopropylidene-5-O-methanesulfonylshikimate
• Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate
• Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Oseltamivir Impurity 55

CAS: 204254-84-2

Formula: C₁₃H₂₀O₇S

Molecular weight: 320.36

Ref: 4Z-O-1183

Ethyl 3,4-O-Isopropylidene-5-O-methanesulfonylshikimate

Controlled Product

CAS: 204254-84-2

Applications Ethyl 3,4-O-Isopropylidene-5-O-methanesulfonylshikimate is an intermediate in the synthesis of neuraminidase inhibitors.
References Rohloff, J.C., et al.: J. Org. Chem., 63, 4545 (1998);

Formula: C₁₃H₂₀O₇S

Color and Shape: Neat

Molecular weight: 320.3587

Ref: TR-E921675

Oseltamivir Impurity 66

CAS: 204254-84-2

Formula: C₁₃H₂₀O₇S

Molecular weight: 320.36

Ref: ST-EA-CP-O3070