CAS 134395-00-9: Atorvastatin tert-Butyl Ester
Description:Atorvastatin tert-Butyl Ester, with the CAS number 134395-00-9, is a chemical compound that serves as an intermediate in the synthesis of atorvastatin, a widely used medication for lowering cholesterol levels. This compound is characterized by its ester functional group, which contributes to its reactivity and solubility properties. Typically, atorvastatin tert-butyl ester is a white to off-white solid, and it is soluble in organic solvents such as methanol and ethanol, but less soluble in water. The tert-butyl group enhances the lipophilicity of the molecule, which can influence its pharmacokinetic properties. In terms of stability, the compound is generally stable under standard laboratory conditions but may be sensitive to hydrolysis in the presence of moisture. As an intermediate, it is crucial in the pharmaceutical industry for the production of atorvastatin, which functions as an HMG-CoA reductase inhibitor, effectively reducing cholesterol synthesis in the liver. Proper handling and storage conditions are essential to maintain its integrity and efficacy during synthesis and formulation processes.
Formula:C37H43FN2O5
InChI:InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/t29-,30-/m1/s1
InChI key:InChIKey=GCPKKGVOCBYRML-LOYHVIPDSA-N
SMILES:O=C(OC(C)(C)C)CC(O)CC(O)CCN1C(C=2C=CC(F)=CC2)=C(C=3C=CC=CC3)C(C(=O)NC=4C=CC=CC4)=C1C(C)C
- Synonyms:
- (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid tert-butyl ester
- (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dihydroxy-4-acetate
- (R,dR)-2-(4-Fluorophenyl)-,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 1,1-Dimethylethyl Ester
- 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, (βR,δR)-
- 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
- L-2
- L2
