(4R-cis)-6-[(Acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester

HCID 9839384
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Grundinformationen

CAS
154026-95-6
Standard-SMILES
CC(=O)OC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1
InChIKey
NGABCYSYENPREI-NEPJUHHUSA-N
Summenformel
C15H26O6
Durchschnittliche Molmasse
302,36 g/mol
Monoisotopische Masse
302,17293854

Namen und Bezeichner

Bevorzugter Name
(4R-cis)-6-[(Acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester
IUPAC
tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Englischer Name
tert-Butyl (4R-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetate
Summenformel
C15H26O6
Molmasse
302.36

Namen und Synonyme

(4R-cis)-6-[(Acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester(4R-cis)-6-((Acetyloxy)methyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl esterRefChem:403354688-142-5D-erythro-Hexonic acid, 2,4-dideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester, 6-acetate154026-95-6tert-Butyl (4R-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetatetert-Butyl 2-((4R,6S)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetateMFCD08458213C15H26O6tert-Butyl 2-[(4R,6S)-6-(Acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate[(4S,6R)-6-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl acetate
Weitere Namen anzeigen
(4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl esterRosuvastatinD5Rosuvastatin P-1tert-butyl 2-((4Rtert-Butyl (4R-cis)-TERT BUTYL(4R-CIS)-63-dioxan-4-yl)acetate6S)-6-(acetoxyMethyl)-2Pitavastatin Impurity 62Rosuvastatin EP Impurity C4
1116473-61-0Rosuvastatin Calcium Impurity 7tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetatetert-Butyl 2-(cis-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetatetert-butyl 2Tert-butyl 2-[(4R,6S)-2,2-Dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl]acetatetert-butyl 2-{(4R,6S)-2,2-dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl}acetateSCHEMBL574108

Datenbank-Bezeichner

CAS
154026-95-6
PubChem CID
9839384
DTXSID
DTXSID30934900
EC Number
688-142-5
Nikkaji
J1.647.738I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
71,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
7
Schwere Atome
21

Physikochemische Eigenschaften

Siedepunkt
353.1 · 353.1±22.0 °C(Predicted)
Dichte
1.036 · 1.036±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Solid
Farbe
Off-White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.；There is 1 notification provided by 3 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Anwendungen

VerwendenTert-butyl 2-[(4R,6S)-2,2-Dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl]acetate (Rosuvastatin Impurity 19) is an impurity of Rosuvastatin (R700500), a selective and competitive HMG-CoA reductase inhibitor.

Vor- und nachgelagerte Produkte

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济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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