Atorvastatin, (3S,5R)-

Base Information

Chemical Name:Atorvastatin, (3S,5R)-
CAS No.:887324-52-9
Molecular Formula:C₃₃H₃₅FN₂O₅
Molecular Weight:558.65
Hs Code.:
UNII:W6MO59C0CE
DSSTox Substance ID:DTXSID80237276
Nikkaji Number:J3.291.658I
Wikidata:Q27292400

Synonyms:Atorvastatin, (3S,5R)-;887324-52-9;UNII-W6MO59C0CE;W6MO59C0CE;1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaS,deltaR)-;7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid, (3S,5R)-;Atorvastatin EP Impurity B (Calcium Salt);Impurity B;AT10 Trans;(3S,5R)-atorvastatin;SCHEMBL465015;DTXSID80237276;AKOS040750625;(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;A1-01745;Q27292400;1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, (.BETA.S,.DELTA.R)-

Suppliers and Price of Atorvastatin, (3S,5R)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Atorvastatin, (3S,5R)-

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:558.25300038
Heavy Atom Count:41
Complexity:822

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Isomeric SMILES:CC(C)C1=C(C(=C(N1CC[C@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Technology Process of Atorvastatin, (3S,5R)-

There total 2 articles about Atorvastatin, (3S,5R)- 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:

: 134394-96-0
*,S^*)>-5-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-3-hydroxy-1-pentanoic acid, 2-hydroxy-1,2,2-triphenylethyl ester

: 887324-52-9,110862-48-1
Atorvastatin

: 108998-83-0
(S)-1,1,2-triphenyl-1,2-ethanediol

Guidance literature:: *,S^*)>-5-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-3-hydroxy-1-pentanoic acid, 2-hydroxy-1,2,2-triphenylethyl ester; With potassium hydroxide; water; In methanol; for 4h; Heating / reflux;

With hydrogenchloride; In water; ethyl acetate; pH=2 - 2.5;

Reference yield:

: tert-butyl (6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate

: 887324-52-9,110862-48-1
Atorvastatin

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; at 25 ℃; for 6h;
DOI:10.1135/cccc20080229

Reference yield:

: 887324-52-9,110862-48-1
Atorvastatin

: 40052-13-9
mono-tert-butyl malonate

: 134394-98-2
1,1-dimethylethyl (R)-7-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-5-hydroxy-3-oxo-1-heptanoate

Guidance literature:: Atorvastatin; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 3h;

mono-tert-butyl malonate; With magnesium ethylate; at 20 ℃; for 20h;