tert-Butyl 2-[(4R,6R)-6-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate - CAS 407577-54-2
Catalog: |
BB024653 |
Product Name: |
tert-Butyl 2-[(4R,6R)-6-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
CAS: |
407577-54-2 |
Synonyms: |
2-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester; tert-butyl 2-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
IUPAC Name: | tert-butyl 2-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
Description: | A useful synthetic intermediate in the preparation of Rosuvastatin (R700500) and its derivatives. |
Molecular Weight: | 260.33 |
Molecular Formula: | C13H24O5 |
Canonical SMILES: | CC1(OC(CC(O1)CO)CC(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C13H24O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10,14H,6-8H2,1-5H3/t9-,10-/m1/s1 |
InChI Key: | CFRUAOXMCVQMFP-NXEZZACHSA-N |
LogP: | 1.62070 |
Publication Number | Title | Priority Date |
KR-101073978-B1 | Method for preparing optically active [6-2- (aminoethyl)-(4R, 6R) -2,2-dimethyl- [1,3] dioxan-4-yl] acetic acid derivatives as intermediates of atorvastatin | 20080423 |
KR-20090111994-A | Method for preparing optically active [6-2- (aminoethyl)-(4R, 6R) -2,2-dimethyl- [1,3] dioxan-4-yl] acetic acid derivatives as intermediates of atorvastatin | 20080423 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.16237386 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.16237386 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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