(4<I>R</I>,6<I>R</I>)-1,3-二氧杂环己烷-4-乙酸 6-<WBR>[2-<WBR>[2-<WBR>(4-<WBR>氟苯基)<WBR>-<WBR>5-<WBR>(1-<WBR>甲基乙基)<WBR>-<WBR>3-<WBR>苯基-<WBR>4-<WBR>[(苯氨基)<WBR>羰基]<WBR>-<WBR>1<I>H</I>-<WBR>吡咯-<WBR>1-<WBR>基]<WBR>乙基]<WBR>-<WBR>2,2-<WBR>二甲基-<WBR>1,1-<WBR>二甲基乙酯 , 97% , 125971-95-1

Synonym(s):
(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester;tert-Butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

CAS NO.：125971-95-1

Empirical Formula: C40H47FN2O5

Molecular Weight: 654.81

MDL number: MFCD04039904

EINECS: 258-925-2

PRODUCT Properties

• Melting point: 144-148 °C(lit.)
• Boiling point: 678.0±55.0 °C(Predicted)
• alpha: 6.5 º (c=1, chloroform)
• Density: 1.14±0.1 g/cm3(Predicted)
• storage temp.: Refrigerator
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• pka: 13.57±0.70(Predicted)
• form: Solid
• color: White
• optical activity: [α]20/D +6.5°, c = 1 in chloroform
• InChIKey: NPPZOMYSGNZDKY-ROJLCIKYSA-N
• SMILES: O1[C@H](CCN2C(C(C)C)=C(C(NC3=CC=CC=C3)=O)C(C3=CC=CC=C3)=C2C2=CC=C(F)C=C2)C[C@H](CC(OC(C)(C)C)=O)OC1(C)C
• CAS DataBase Reference: 125971-95-1(CAS DataBase Reference)

Description and Uses

Atorvastatin Acetonide tert-Butyl Ester (Atorvastatin EP Impurity I) is an Atorvastatin intermediate.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
• Safety Statements: 24/25
• RIDADR: UN 2811 6.1 / PGII
• WGK Germany: 3
• HS Code: 29349990