(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aR,9R)-5-[(4-fluorophenyl)amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 20260-53-1 A814363 CAS 20260-53-1

Purity 97%+In StockPharmaceutical Standards
CAS No.20260-53-1
Molecular FormulaC6H10ClNO
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aR,9R)-5-[(4-fluorophenyl)amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 20260-53-1 A814363 CAS 20260-53-1 chemical structure

Description

The occurrence of (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aR,9R)-5-[(4-fluorophenyl)amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 20260-53-1 A814363 is closely related to an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aR,9R)-5-[(4-fluorophenyl)amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 20260-53-1 A814363 (CAS 20260-53-1), molecular formula C6H10ClNOHCl and molecular weight 184.06 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C6H10ClNOHCl, (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aR,9R)-5-[(4-fluorophenyl)amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 20260-53-1 A814363 contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 184.06 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aR,9R)-5-[(4-fluorophenyl)amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 20260-53-1 A814363 under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC6H10ClNO HCl
Molecular Weight184.06 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1962
Halogen ContentCl-containing
Nitrogen Atoms1

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