5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Modify Date: 2024-01-09 10:04:57

5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione Structure
5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione structure
Common Name 5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS Number 100981-05-3 Molecular Weight 248.319
Density 1.3±0.1 g/cm3 Boiling Point 401.1±45.0 °C at 760 mmHg
Molecular Formula C9H12O4S2 Melting Point N/A
MSDS N/A Flash Point 202.6±16.7 °C

 Names

Name 5-[bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 401.1±45.0 °C at 760 mmHg
Molecular Formula C9H12O4S2
Molecular Weight 248.319
Flash Point 202.6±16.7 °C
Exact Mass 248.017700
PSA 103.20000
LogP -0.29
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.553

 Synthetic Route

~29%

5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione Structure

5-(bis(methylth...

CAS#:100981-05-3

Literature: BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2005/56562 A1, 2005 ; Location in patent: Page/Page column 79 ; WO 2005/056562 A1

~%

5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione Structure

5-(bis(methylth...

CAS#:100981-05-3

Literature: American Home Products Corporation Patent: US4547516 A1, 1985 ;

~49%

5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione Structure

5-(bis(methylth...

CAS#:100981-05-3

Literature: Hunter, Gordon A.; McNab, Hamish Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 10 p. 1209 - 1214

~%

5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione Structure

5-(bis(methylth...

CAS#:100981-05-3

Literature: Huang, Xian; Chen, Bang-Chi Synthesis, 1986 , # 11 p. 967 - 968

 Synonyms

5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
1,3-Dioxane-4,6-dione, 5-[bis(methylthio)methylene]-2,2-dimethyl-
5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione