Home Other Building Blocks 1,3,4-oxadiazinan-2-one

1,3,4-oxadiazinan-2-one

CAS No.:
1190024-53-3
Catalog Number:
AG01E7FK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7FK
Chemical Name:
1,3,4-oxadiazinan-2-one
CAS Number:
1190024-53-3
MDL Number:
MFCD31380870
IUPAC Name:
1,3,4-oxadiazinan-2-one
InChI:
InChI=1S/C3H6N2O2/c6-3-5-4-1-2-7-3/h4H,1-2H2,(H,5,6)
InChI Key:
AHSRDSXWYFVGHI-UHFFFAOYSA-N
Properties
Complexity:
83  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.043g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
102.093g/mol
Monoisotopic Mass:
102.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
(5R)-3-(2-Chloro-acet-yl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one. Acta crystallographica. Section E, Structure reports online 20110701
(5S)-4-(2,2-Dimethyl-prop-yl)-5-isopropyl-1,3,4-oxadiazinan-2-one. Acta crystallographica. Section E, Structure reports online 20101201
4-Methyl-3-(2-phenoxy-acet-yl)-5-phenyl-1,3,4-oxadiazinan-2-one. Acta crystallographica. Section E, Structure reports online 20090701
(5R,6S)-4-Isopropyl-5-methyl-6-phenyl-3-propanoyl-2H-1,3,4-oxadiazinan-2-one. Acta crystallographica. Section E, Structure reports online 20090701
(5S,6R)-5-Methyl-6-phenyl-4-propyl-1,3,4-oxadiazinane-2-thione. Acta crystallographica. Section E, Structure reports online 20090601
(5S,6S)-4,5-Dimethyl-3-methyl-acryloyl-6-phenyl-1,3,4-oxadiazinan-2-one. Acta crystallographica. Section E, Structure reports online 20080601
Intramolecular chiral relay at stereogenic nitrogen. Synthesis and application of a new chiral auxiliary derived from (1R,2S)-norephedrine and acetone. The Journal of organic chemistry 20040206
Conformational studies of N(3)-substituted [1,3,4]-oxadiazinan-2-ones. The Journal of organic chemistry 20021213
Toward the development of a structurally novel class of chiral auxiliaries: diastereoselective aldol reactions of a (1R,2S)-ephedrine-based 3,4,5,6-tetrahydro-2H-1,3,4-oxadiazin-2-one. Organic letters 20021017
Properties