(2R,6R)-2-TERT-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE

CAS No.
100017-18-3
CCD No.
CCD00064936
Formula
C9 H16 O3
MolWeight
172.222

Basic Information

Product Name: (2R,6R)-2-TERT-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE
CAS: 100017-18-3
English Synonyms: (2R,6R)-2-TERT-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE
MDL Number.: MFCD00134392
H bond acceptor: 3
H bond donor: 0
Smile: C[C@@H]1CC(=O)O[C@@H](O1)C(C)(C)C
InChi: 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
InChiKey: InChIKey=SFWUTHYTQUXJTB-HTRCEHHLSA-N

Property

Melting Point: 82-84 DEG C(LIT)
Comments: ASSAY METHOD: SUM OF ENANTIOMERS, GC
OPTICAL ACTIVITY: [ALPHA]20/D -56+/-2 DEG, C = 1% IN CHLOROFORM
OTHER NOTES: 5-ALKYLIDENATION AND TRANSFORMATION OF PRODUCTS
OTHER NOTES: DERIVATIVE OF (R)-BETA-HYDROXY-BUTYRIC ACID WHICH CAN BE ALPHA-ALKYLATED IN HIGH ANTI-SELECTIVITY
STORAGE TEMPERATURE: -20 DEG C
UNSPSC: 12352100
WGK: 3

Safety information

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