Rosuvastatin impurity 50

Name: Rosuvastatin impurity 50
Brand: ChemScene
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CAS No. 289042-12-2
Cat. No. CS-0154317
Purity≥97%
MDL No.MFCD08458343

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 289042-12-2

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Description

This tert-butyl ester features a sterically hindered dioxane core paired with a fluorinated aryl-pyrimidine pharmacophore, enabling efficient incorporation into complex heterocyclic scaffolds under standard conditions.

Application

tert-Butyl 2-((4R,6S)-6-((E)-2-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate serves as a versatile synthetic intermediate for constructing complex pyrimidine-based scaffolds. Its tert-butyl ester functionality enables stable handling and convenient deprotection under mild acidic conditions. The molecule features orthogonal functional groups—vinyl, sulfonamide, and dioxane—that facilitate downstream coupling reactions and heterocycle elaboration in medicinal chemistry campaigns.

General Information

CAS No. 289042-12-2
Cat. No. CS-0154317
Purity ≥97%
MDL No. MFCD08458343
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₄₀FN₃O₆S
Molecular Weight 577.71
Synonym(s) None
SMILES C(=C/[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)\C=2C(=NC(N(S(C)(=O)=O)C)=NC2C(C)C)C3=CC=C(F)C=C3

Computational Chemistry Data

TPSA 107.92
LogP 5.4571
H_Acceptors 8
H_Donors 0
Rotatable_Bonds 8

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Sulfonamide

Building Blocks Functional Group Olefins

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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Rosuvastatin impurity 50

CAS No. 289042-12-2

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