Atorvastatin Epoxy Tetrahydrofuran Impurity

Base Information

• Chemical Name: Atorvastatin Epoxy Tetrahydrofuran Impurity
• CAS No.: 873950-19-7
• Molecular Formula: C26H24FNO5
• Molecular Weight: 449.479
• European Community (EC) Number: 820-177-5
• DSSTox Substance ID: DTXSID90468493
• Nikkaji Number: J2.603.360H
• Mol file: 873950-19-7.mol

Synonyms:Atorvastatin Epoxy Tetrahydrofuran Impurity;873950-19-7;4-(4-FLUOROPHENYL)-2,4-DIHYDROXY-2-ISOPROPYL-N,5-DIPHENYL-3,6-DIOXABICYCLO[3.1.0]HEXANE-1-CARBOXAMIDE;4-(4-fluorophenyl)-2,4-dihydroxy-N,5-diphenyl-2-propan-2-yl-3,6-dioxabicyclo[3.1.0]hexane-1-carboxamide;AGN-PC-00BH1B;SCHEMBL2541055;DTXSID90468493;AKOS040732489;HY-136185;CS-0120369;FT-0662332

Chemical Property of Atorvastatin Epoxy Tetrahydrofuran Impurity

Chemical Property:

• Melting Point: >163°C (dec.)
• Boiling Point: 661.1±55.0 °C(Predicted)
• PKA: 10.43±0.70(Predicted)
• PSA: 91.32000
• Density: 1.435±0.06 g/cm3(Predicted)
• LogP: 3.72180
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO, Methanol (Very Slightly
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 449.16385103
• Heavy Atom Count: 33
• Complexity: 745

Purity/Quality:

97% ^*data from raw suppliers

AtorvastatinEpoxyTetrahydrofuranImpurity ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1(C2(C(O2)(C(O1)(C3=CC=C(C=C3)F)O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)O

Technology Process of Atorvastatin Epoxy Tetrahydrofuran Impurity

There total 3 articles about Atorvastatin Epoxy Tetrahydrofuran Impurity which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

lipitor (134523-03-8) → 4-(4-fluoro-phenyl)-2,4-dihydroxy-2-isopropyl-5-phenyl-3,6-dioxa-bicyclo[3.1.0]hexane-1-carboxylic acid phenylamide (873950-19-7)

Guidance literature:

With methylene blue; In water; acetonitrile; at 20 ℃; for 2h; Irradiation with visible light;

Reference yield:

atorvastatin (134523-00-5,110862-48-1) → 4-(4-fluoro-phenyl)-2,4-dihydroxy-2-isopropyl-5-phenyl-3,6-dioxa-bicyclo[3.1.0]hexane-1-carboxylic acid phenylamide (873950-19-7) + 3-<(4-fluorophenyl)carbonyl>-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-2-oxiranecarboxamide (148146-51-4)

Guidance literature:

atorvastatin; In water; acetonitrile; for 5h; Solar radiation;

With phosphoric acid; In water; acetonitrile; at 20 ℃; for 2h; pH=3.0;

Reference yield:

lipitor (134523-03-8) → 4-(4-fluoro-phenyl)-2,4-dihydroxy-2-isopropyl-5-phenyl-3,6-dioxa-bicyclo[3.1.0]hexane-1-carboxylic acid phenylamide (873950-19-7) + 4-[1b-(4-fluoro-phenyl)-6-hydroxy-6-isopropyl-1a-phenyl-6a-phenylcarbamoyl-hexahydro-1,2-dioxa-5a-aza-cyclopropa[a]inden-3-yl]-3-(R)-hydroxy-butyric acid (873950-18-6) + 4-[6-(4-fluoro-phenyl)-6-hydroxy-1b-isopropyl-6a-phenyl-1a-phenylcarbamoyl-hexahydro-1,2-dioxa-5a-aza-cyclopropa[a]inden-3-yl]-3-(R)-hydroxy-butyric acid (873950-17-5) + 3-<(4-fluorophenyl)carbonyl>-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-2-oxiranecarboxamide (148146-51-4)

Guidance literature:

With oxygen; at 80 ℃; for 720h;

upstream raw materials:

lipitor

atorvastatin

Refernces

• 1、 -. "PROCESS FOR PREPARING FORMS OF ATORVASTATIN CALCIUM SUBSTANTIALLY FREE OF IMPURITIES". Page/Page column 17. . Retrieved 2008/06/13.