All Photos(2)
Empirical Formula (Hill Notation):
C10H12S2
CAS Number:
Molecular Weight:
196.33
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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Assay
97%
form
solid
mp
72-74 °C (lit.)
solubility
acetone: soluble 25 mg/mL, clear, colorless to yellow
SMILES string
C1CSC(SC1)c2ccccc2
InChI
1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
InChI key
GXKPARDRBFURON-UHFFFAOYSA-N
General description
The full set of NMR spectral parameters (1H, 13C, 31P) for 2-phenyl-1,3-dithiane has been reported.
Application
2-Phenyl-1,3-dithiane is a versatile acyl anion equivalent and has been used in the preparation of benzaldehyde-1-d.
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Synthesis of 1-deuterioaldehydes. Benzaldehyde-1-D.
Seebach D, et al.
The Journal of Organic Chemistry, 31(12), 4303-4304 (1966)
NMR spectral analysis of 1, 3, 2-dithiaphosphorinanes and 1, 3-dithianes.
Martin J and Robert JB.
Org. Magn. Reson., 7(2), 76-77 (1975)
Amos B Smith et al.
Journal of the American Chemical Society, 125(47), 14435-14445 (2003-11-20)
The development, application, and advantages of a one-flask multicomponent dithiane linchpin coupling protocol, over the more conventional stepwise addition of dithiane anions to electrophiles leading to the rapid, efficient, and stereocontrolled assembly of highly functionalized intermediates for complex molecule synthesis
Smith, A. B., III; Boldi, A. M.
Journal of the American Chemical Society, 119, 6925-6925 (1997)
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