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Merck
CN

20264

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

puriss., ≥99.0% (sum of enantiomers, HPLC)

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About This Item

Empirical Formula (Hill Notation):
C9H14O3
CAS Number:
Molecular Weight:
170.21
PubChem Substance ID:
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
4176869
MDL number:
Assay:
≥99.0% (sum of enantiomers, HPLC)
Form:
solid
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SMILES string

CC1=CC(=O)O[C@@H](O1)C(C)(C)C

InChI

1S/C9H14O3/c1-6-5-7(10)12-8(11-6)9(2,3)4/h5,8H,1-4H3/t8-/m1/s1

InChI key

HWPXDBBVCANLFT-MRVPVSSYSA-N

grade

puriss.

assay

≥99.0% (sum of enantiomers, HPLC)

form

solid

optical activity

[α]20/D −221±3°, c = 1% in chloroform

mp

60-62 °C

Quality Level

General description

"Reagent of the Year 1987"

Other Notes

Chiral building block; this derivative of acetoacetate undergoes various stereoselective reactions with nucleophiles and electrophiles

ppe

Eyeshields, Gloves, type N95 (US)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Synthesis, 484-484 (1989)
Chemische Berichte, 124, 1845-1845 (1991)
D. Seebach et al.
Journal of the American Chemical Society, 110, 4763-4763 (1988)
D. Seebach et al.
Helvetica Chimica Acta, 69, 1147-1147 (1986)

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