tert-Butyl 2-[(4R,6S)-6-(Acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate - CAS 154026-95-6
Catalog: |
BB010964 |
Product Name: |
tert-Butyl 2-[(4R,6S)-6-(Acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
CAS: |
154026-95-6 |
Synonyms: |
2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester; tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
IUPAC Name: | tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
Description: | tert-Butyl 2-[(4R,6S)-6-(Acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS# 154026-95-6) is an impurity of Rosuvastatin (R700500), a selective and competitive HMG-CoA reductase inhibitor. |
Molecular Weight: | 302.36 |
Molecular Formula: | C15H26O6 |
Canonical SMILES: | CC(=O)OCC1CC(OC(O1)(C)C)CC(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H26O6/c1-10(16)18-9-12-7-11(19-15(5,6)20-12)8-13(17)21-14(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12+/m1/s1 |
InChI Key: | NGABCYSYENPREI-NEPJUHHUSA-N |
Boiling Point: | 353.142 °C at 760 mmHg |
Density: | 1.037 g/cm3 |
LogP: | 2.19150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-214289817-U | Tert-butyl acetate preparation device | 20201201 |
CN-111675689-A | Chemical synthesis method of rosuvastatin intermediate | 20200616 |
CN-111675689-B | Chemical synthesis method of rosuvastatin intermediate | 20200616 |
US-10626093-B2 | Polymorphic form of crystalline rosuvastatin calcium and novel processes for crystalline as well as amorphous rosuvastatin calcium | 20160418 |
US-2019127334-A1 | New polymorphic form of crystalline rosuvastatin calcium & novel processes for crystalline as well as amorphous rosuvastatin calcium | 20160418 |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.17293854 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.17293854 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 71.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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