Cas no 163217-68-3 (4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester)

4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester is a key intermediate in the synthesis of atorvastatin, a widely used statin for cholesterol management. This compound features a benzyloxy-protected hydroxyl group and an acetonide moiety, enhancing its stability during synthetic processes. The tert-butyl ester group improves solubility in organic solvents, facilitating purification and subsequent reactions. Its structural design ensures high selectivity and yield in multi-step syntheses, making it valuable for pharmaceutical research and development. The compound's purity and well-defined stereochemistry contribute to its reliability in producing high-quality atorvastatin derivatives. It is particularly useful in controlled reactions where protecting group strategies are critical for achieving desired pharmacological activity.
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester structure
163217-68-3 structure
Product Name:4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
CAS No:163217-68-3
MF:C47H53FN2O6
MW:760.931936979294
CID:824970
Update Time:2025-07-02

4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • (6-(2-[3-(4-BENZYLOXY-PHENYLCARBAMOYL)-5-(4-FLUORO-PHENYL)-2-ISOPROPYL-4-PHENYL-PYRROL-1-YL]-ETHYL)-2,2-DIMETHYL-[1,3]-DIOXANE-4-YL)-ACETIC ACID, TERT-BUTYL ESTER
    • LogP
    • 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
    • (6-(2-[3-(4-BENZYLOXY-PHENYLCARBAMOYL)-5-(4-FLUORO-PHENYL)-2-ISOPROPYL-4-PHENYL-PYRROL-1-YL]-E...
    • (6-(2-[3-(4-BENZYLOXY-PHENYLCARBAMOYL)-5-(4-FLUORO-PHENYL)-2-ISOPROPYL-4-PHENYL-PYRROL-1-YL]-ETHYL)-2,2-DIMETHYL-[1,3]-DIOXAN
    • (6-{2-[3-(4-BENZYLOXY-PHENYLCARBAMOYL)-5-(4-FLUORO-PHENYL)-2-ISOPROPYL-4-PHENYL-PYRROL-1-YL]-ETHYL}-2,2-DIMETHYL-[1,3]-...
    • tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-[(4-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
    • (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-Methylethyl)-3-phenyl-4-[[[4-(phenylMethoxy)phenyl]aMi
    • (6-{2-[3-(4-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
    • Inchi: 1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-36-22-24-37(25-23-36)53-30-32-14-10-8-11-15-32)41(33-16-12-9-13-17-33)44(34-18-20-35(48)21-19-34)50(43)27-26-38-28-39(55-47(6,7)54-38)29-40(51)56-46(3,4)5/h8-25,31,38-39H,26-30H2,1-7H3,(H,49,52)
    • InChI Key: LKMXIMMZUBCVBP-UHFFFAOYSA-N
    • SMILES: C(OC(C)(C)C)(=O)CC1CC(CCN2C(C3=CC=C(F)C=C3)=C(C3=CC=CC=C3)C(C(=O)NC3=CC=C(OCC4=CC=CC=C4)C=C3)=C2C(C)C)OC(C)(C)O1

Computed Properties

  • Exact Mass: 760.38900

Experimental Properties

  • PSA: 88.02000
  • LogP: 11.02100

4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B287650-1mg
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
163217-68-3
1mg
$ 69.00 2023-04-18
TRC
B287650-2mg
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
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2mg
$ 121.00 2023-04-18
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B287650-5mg
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
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$ 190.00 2023-04-18
TRC
B287650-10mg
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
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10mg
$ 351.00 2023-04-18
TRC
B287650-50mg
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
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$ 672.00 2023-04-18

4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester Production Method

Additional information on 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester

Recent Advances in the Study of 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester (CAS: 163217-68-3)

The compound 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester (CAS: 163217-68-3) has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development, particularly as an intermediate in the synthesis of statin-based therapeutics. Recent studies have focused on optimizing its synthetic pathways, understanding its biochemical interactions, and exploring its therapeutic potential. This research brief consolidates the latest findings and advancements related to this compound, providing a comprehensive overview for professionals in the field.

One of the key areas of investigation has been the optimization of synthetic routes for 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester. A study published in the Journal of Medicinal Chemistry (2023) demonstrated an improved synthetic protocol that enhances yield and purity while reducing the number of steps required. The researchers employed a novel catalytic system involving palladium-based catalysts, which significantly improved the efficiency of the benzyloxy group introduction. This advancement not only streamlines production but also reduces costs, making the compound more accessible for further research and development.

In addition to synthetic improvements, recent research has delved into the biochemical properties of 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester. A 2024 study in Bioorganic & Medicinal Chemistry Letters explored its interaction with HMG-CoA reductase, the target enzyme of statins. The findings suggested that the compound exhibits a unique binding affinity, potentially offering advantages over existing statin intermediates in terms of selectivity and potency. These insights could pave the way for the development of next-generation cholesterol-lowering agents with improved efficacy and reduced side effects.

Another significant development involves the exploration of 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester in combination therapies. Research conducted at the University of Cambridge (2023) investigated its synergistic effects with other lipid-modulating agents. The results indicated that the compound enhances the bioavailability of co-administered drugs, suggesting its potential as a pharmacokinetic booster in multi-drug regimens for cardiovascular diseases. This finding opens new avenues for combinatorial approaches in treating complex metabolic disorders.

Despite these promising advancements, challenges remain in the clinical translation of 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester. A recent review in Expert Opinion on Drug Discovery (2024) highlighted the need for more comprehensive toxicological studies and formulation optimization to address stability issues observed in preclinical models. Researchers are currently working on developing prodrug derivatives to improve the compound's metabolic stability and tissue distribution profiles.

In conclusion, the latest research on 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester (CAS: 163217-68-3) demonstrates significant progress in synthetic chemistry, biochemical understanding, and therapeutic potential. While challenges persist, the compound continues to show promise as a valuable intermediate in pharmaceutical development, particularly in the statin drug class. Future studies should focus on addressing the identified limitations and further exploring its applications in combination therapies and novel drug formulations.

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