125971-95-1

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
CAS 125971-95-1
EINECS(EC#) 258-925-2
Molecular Formula C40H47FN2O5
MDL Number MFCD08458280
Molecular Weight 654.81
MOL File 125971-95-1.mol

Chemical Properties

Appearance White Solid
Melting point  144-148 °C(lit.)
alpha  6.5 º (c=1, chloroform)
Boiling point  678.0±55.0 °C(Predicted)
density  1.14±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 13.57±0.70(Predicted)
color  White
Optical Rotation [α]20/D +6.5°, c = 1 in chloroform
Usage Atorvastatin intermediate
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)

Safety Data

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 
RIDADR  UN 2811 6.1 / PGII
WGK Germany  3
REACH Registrations Active
HS Code  29349990
Storage Class 11 - Combustible Solids

Hazard Information

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