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20260

Sigma-Aldrich

(2R,6R)-2-tert-Butyl-6-methyl-1,3-dioxan-4-one

≥98.5% (sum of enantiomers, GC)

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About This Item

Empirical Formula (Hill Notation):
C9H16O3
CAS Number:
100017-18-3
Molecular Weight:
172.22
Beilstein/REAXYS Number:
4307891
MDL number:
MFCD00134392
UNSPSC Code:
12352005
PubChem Substance ID:
57647827

assay

≥98.5% (sum of enantiomers, GC)

optical activity

[α]20/D −56±2°, c = 1% in chloroform

mp

82-84 °C (lit.)
82-84 °C

storage temp.

−20°C

SMILES string

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

InChI

1S/C9H16O3/c1-6-5-7(10)12-8(11-6)9(2,3)4/h6,8H,5H2,1-4H3/t6-,8-/m1/s1

InChI key

SFWUTHYTQUXJTB-HTRCEHHLSA-N

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Other Notes

Derivative of (R)-β-hydroxy-butyric acid which can be α-alkylated in high anti-selectivity; 5-alkylidenation and transformation of products

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Certificates of Analysis (COA)

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W. Amberg et al.
Chemische Berichte, 123, 2413-2413 (1990)
D. Seebach et al.
Helvetica Chimica Acta, 76, 459-459 (1993)

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