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Home > Products > Pharmaceuticals & Life Science > Pharmaceutical Intermediates > tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate structure, CAS 125971-95-1

tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

CAS Number125971-95-1

SynonymsAtorvastatin Acetonide tert-Butyl Ester; MFCD08458280; Atorvastatin intermediate L1; Atorvastatin calciuM interMediate

Molecular FormulaC40H47FN2O5

Molecular Weight654.81

Purity98.00%

Density1.1±0.1 g/cm3

Boiling Point678.0±55.0 °C at 760 mmHg

Melting Point144-148 °C (lit.)

Flash Point

AppearanceSolid;White to Almost white powder to crystal

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Cat. No.: 2A-9051710 Purity: 98.00%
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Quality Control of [ 125971-95-1 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number125971-95-1
Catalog No.2A-9051710
Chinese Name(4R,6R)-2-[6-[2-[2-(4-氟苯基)-5-异丙酯-3-苯基-4-(苯基氨甲酰基)吡咯-1-基]乙基]-2,2-二甲基-1,3-二恶烷-4-基]醋酸叔丁酯
SynonymsAtorvastatin Acetonide tert-Butyl Ester; MFCD08458280; Atorvastatin intermediate L1; Atorvastatin calciuM interMediate
Molecular FormulaC40H47FN2O5
Molecular Weight654.81
Purity98.00
Density1.1±0.1 g/cm3
Boiling Point678.0±55.0 °C at 760 mmHg
Melting Point144-148 °C (lit.)
AppearanceSolid;White to Almost white powder to crystal
Water SolubilitySoluble in: chloroform
Storage Conditionroom temperature
ApplicationAtorvastatin acetonide tert-butyl ester is a useful intermediate for the preparation of Atorvastatin salts. Atorvastatin is an oral HMG-CoA reductase inhibitor that can effectively lower blood lipids.
PubChem ID329749080
MDL NumberMFCD04039904
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c3ccccc3)c(-c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O5
InChI1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
InChI KeyNPPZOMYSGNZDKY-ROJLCIKYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbolstransportation
MSDSmsds/51710_1_125971_95_1.pdf
BioactivityAtorvastatin acetonide tert-butyl ester is a useful pharmaceutical intermediate in the preparation of Atorvastatin salts. Atorvastatin is an orally active HMG-CoA reductase inhibitor and has the ability to effectively decrease blood lipids[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Process for preparing amorphous (4r-cis)-6-[2-[3-phenyl-4-(phenylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-pyrrol-1-yl]-ethyl]-2,2-dimethyl-[1,3]-dioxane-4-yl-acetic acid. WO2005063741A1. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 678.0±55.0 °C at 760 mmHg Melting Point 144-148ºC Molecular Formula C40H47FN2O5 Molecular Weight 654.810 Flash Point 363.9±31.5 °C Exact Mass 654.346924 PSA 78.79000 LogP 7.78 Vapour Pressure 0.0±2.1 mmHg at 25°C Index of Refraction 1.569
Use ofAtorvastatin acetonide tert-butyl ester is a useful pharmaceutical intermediate in the preparation of Atorvastatin salts. Atorvastatin is an orally active HMG-CoA reductase inhibitor and has the ability to effectively decrease blood lipids[1]. Properties Name tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate Synonym More Synonyms Atorvastatin Acetonide tert-Butyl Ester Biological Activity Description Atorvastatin acetonide tert-butyl ester is a useful pharmaceutical intermediate in the preparation of Atorvastatin salts. Atorvastatin is an orally active HMG-CoA reductase inhibitor and has the ability to effectively decrease blood lipids[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Process for preparing amorphous (4r-cis)-6-[2-[3-phenyl-4-(phenylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-pyrrol-1-yl]-ethyl]-2,2-dimethyl-[1,3]-dioxane-4-yl-acetic acid. WO2005063741A1. Chemical & Physical Properties Molecular Formula C40H47FN2O5 Exact Mass 654.346924 PSA 78.79000 Index of Refraction 1.569
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 United Nations number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available
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