2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester

Base Information

• Chemical Name: 2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester
• CAS No.: 1092716-42-1
• Molecular Formula: C₂₅H₃₈O₇
• Molecular Weight: 450.573
• Mol file: 1092716-42-1.mol

Synonyms:2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester;3(R)-Hydroperoxy SiMvastatin

Chemical Property of 2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester

Chemical Property:

• PSA: 102.29000
• LogP: 4.19780

Purity/Quality:

>95% ^*data from raw suppliers

3(R)-HydroperoxySimvastatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3(R)-Hydroperoxy Simvastatin is the oxidative degradation product of Simvastatin (S485000).

Technology Process of 2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester

There total 1 articles about 2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

simvastatin (123049-81-0,79902-63-9) → 3(S)-hydroperoxysimvastatin (1092716-44-3) + 3(R)-hydroperoxysimvastatin (1092716-42-1) + 6(S)-hydroxysimvastatin (133645-46-2) + 6(S)-hydroperoxysimvastatin (149949-01-9)

Guidance literature:

With butylated hydroxy-anysole; oxygen; at 50 ℃; for 216 - 384h; Reactivity;

upstream raw materials:

simvastatin

Refernces