CAS 154026-95-6

Chemistry, 2 End Use API, 7 Related Intermediates

Manufacturers/Suppliers

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Also known as: 154026-95-6, Tert-butyl 2-((4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate, C15h26o6, Tert-butyl 2-[(4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, Tert-butyl 2-[(4r,6s)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, 1116473-61-0

Molecular Formula

C₁₅H₂₆O₆

Molecular Weight

302.36 g/mol

InChI Key

NGABCYSYENPREI-NEPJUHHUSA-N

1 2D Structure

CAS 154026-95-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

2.1.2 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

2.1.3 InChI Key

NGABCYSYENPREI-NEPJUHHUSA-N

2.1.4 Canonical SMILES

CC(=O)OCC1CC(OC(O1)(C)C)CC(=O)OC(C)(C)C

2.1.5 Isomeric SMILES

CC(=O)OC[C@@H]1C[C@@H](OC(O1)(C)C)CC(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 154026-95-6

2. Tert-butyl 2-((4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

3. C15h26o6

4. Tert-butyl 2-[(4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

5. Tert-butyl 2-[(4r,6s)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

6. 1116473-61-0

7. [(4s,6r)-6-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl Acetate

8. Tert-butyl 2-(cis-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

9. Mfcd08458213

10. (4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl Ester

11. Schembl574108

12. Rosuvastatin Impurity 91

13. Amy4201

14. Dtxsid30934900

15. Ac7699

16. Akos015896155

17. Ac-3409

18. Cs-w003520

19. Ds-1381

20. A24820

21. Tert-butyl 6-o-acetyl-2,4-dideoxy-3,5-o-(1-methylethylidene)hexonate

22. 2-[(4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxane-4-yl]acetic Acid Tert-butyl Ester

23. 2-methyl-2-propanyl 6-o-acetyl-2,4-dideoxy-3,5-o-isopropylidene-d-erythro-hexonate

24. Tert-butyl 2-{(4r,6s)-2,2-dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl}acetate

25. (4r-cis)-6-[(acetyloxy)methyl]-2 Pound Not2-dimethyl-
1 Pound Not3-dioxane-4-acetic Acid Pound Not1 Pound Not1-dimethylethyl Ester

26. (4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid, 1,1-dimethylethyl Ester

27. Tert-butyl 2-{(4r,6s)-2,2-dimethyl-6-[(methyl-carbonyloxy)methyl]-1,3-dioxan-4-yl}acetate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₆O₆
Molecular Weight	302.36 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	71.1
Heavy Atom Count	21
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1