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ChemicalBook--->CAS DataBase List--->6007-26-7

6007-26-7

6007-26-7 Structure

6007-26-7 Structure
IdentificationMore
[Name]

2-METHYL-1,3-DITHIANE
[CAS]

6007-26-7
[Synonyms]

2-METHYL-1,3-DITHIANE
2-methyl-3-dithiane
2-methyl-m-dithian
2-Methyl-m-dithiane
Acetaldehyde, cyclic trimethylene mercaptal
m-Dithiane, 2-methyl-
Methyl-2 dithiane-1,3
methyl-2dithiane-1,3
2-Methyl-1,3-dithiane 98%
[EINECS(EC#)]

227-859-6
[Molecular Formula]

C5H10S2
[MDL Number]

MFCD00014652
[Molecular Weight]

134.26
[MOL File]

6007-26-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

56-59 °C/3 mmHg (lit.)
[density ]

1.121 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.560(lit.)
[Fp ]

180 °F
[form ]

Liquid
[color ]

Colorless to brown
[Odor]

at 0.10 % in dipropylene glycol. sulfurous
[Odor Type]

sulfurous
[Water Solubility ]

Not miscible or difficult to mix in water. Soluble in alcohol.
[BRN ]

102766
[LogP]

2.265 (est)
[CAS DataBase Reference]

6007-26-7(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3334
[WGK Germany ]

3
[RTECS ]

JO5263000
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Dichloromethane-->Sodium sulfate-->Benzene-->Boron trifluoride diethyl etherate-->Acetaldehyde-->1,3-Dimercaptopropane
Hazard InformationBack Directory
[Uses]

2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate.
[Uses]

It has been employed in the synthesis of methyl ketones. 2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate.
[Synthesis Reference(s)]

Tetrahedron Letters, 27, p. 6305, 1986 DOI: 10.1016/S0040-4039(00)87793-X
[General Description]

2-Methyl-1,3-dithiane is a versatile acyl anion equivalent. Role of hyperconjugation in the conformational analysis of 2-methyl-1,3-dithiane has been reported.
[Purification Methods]

Wash the dithiane with H2O, 2.5 M aqueous NaOH, H2O, brine, dry over K2CO3 (use toluene as solvent if the volume of reagent is small), filter, evaporate and distil the colourless residue. IR film: 1455, 1371 and 1060 (all medium and CH3), 1451m, 1422s, 1412m, 1275m, 1236m, max 1190m, 1171w, 918m and 866w (all dithiane) cm-1 [Corey & Erickson J Org Chem 36 3553 1971, Seebach & Corey J Org Chem 40 231 1975]. [Beilstein 19 III/IV 49, 19/1 V 53.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-1,3-DITHIANE(6007-26-7)1HNMR
2-METHYL-1,3-DITHIANE(6007-26-7)FT-IR
2-METHYL-1,3-DITHIANE(6007-26-7)Raman
2-METHYL-1,3-DITHIANE(6007-26-7)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Methyl-1,3-dithiane, 98%(6007-26-7)
[Sigma Aldrich]

6007-26-7(sigmaaldrich)
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