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1,3-Dithiane

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1,3-Dithiane Basic information

Product Name:
1,3-Dithiane
Synonyms:
  • 1,3-Dithiacyclohexane
  • 1,3-Dithian
  • Dithiane-1,3
  • M-DITHIANE
  • 1,3-DITHIANE
  • 1,3-Dithiane,98%
  • 1,3-Dithiane,99%
  • META-DITHIANE
CAS:
505-23-7
MF:
C4H8S2
MW:
120.24
EINECS:
208-006-7
Product Categories:
  • Allium sativum (Garlic)
  • Building Blocks
  • Chemical Synthesis
  • Heterocyclic Building Blocks
  • Nutrition Research
  • Phytochemicals by Plant (Food/Spice/Herb)
  • Sulfur
  • Miscellaneous
  • Sulfur Compounds (for Synthesis)
  • Synthetic Organic Chemistry
  • Heterocyclic Building Blocks
  • Others
  • S-Containing
Mol File:
505-23-7.mol
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1,3-Dithiane Chemical Properties

Melting point:
52-54 °C (lit.)
Boiling point:
207-208°C
Density 
1.062 (estimate)
refractive index 
1.5981 (estimate)
Flash point:
195 °F
storage temp. 
Inert atmosphere,Room Temperature
form 
Crystals, Needles or Powder
pka
31(at 25℃)
color 
White to pale beige
Odor
at 0.01 % in propylene glycol. alliaceous roasted
Odor Type
alliaceous
Water Solubility 
Soluble in benzene, ether, chloroform and terahydrofuran. Slightly soluble in water.
Sensitive 
Hygroscopic
BRN 
102534
InChIKey
WQADWIOXOXRPLN-UHFFFAOYSA-N
LogP
1.729 (est)
CAS DataBase Reference
505-23-7(CAS DataBase Reference)
NIST Chemistry Reference
1,3-Dithiane(505-23-7)
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Safety Information

Risk Statements 
20/21/22
Safety Statements 
22-24/25
RIDADR 
UN 1325 4.1/PG 2
WGK Germany 
3
RTECS 
JO5070000
13
HazardClass 
4.1
PackingGroup 
III
HS Code 
29349990

MSDS

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1,3-Dithiane Usage And Synthesis

Chemical Properties

white to pale beige crystals, needles or powder

Uses

1,3-Dithiane is used in umpolung reactions such as the Corey-Seebach reaction. It acts as a reagent for the deoxygenation of sulfoxides to their corresponding sulfides. Further, it is used as a protecting group for carbonyl compounds used in organic synthesis. It serves as a useful labeled synthon. In addition to this, it is used in the preparation of 2-ethyl-[1,3]dithiane.

Definition

ChEBI: 1,3-dithiane is a dithiane.

Reactions

1,3-dithiane has 2 weakly acidic protons that can be removed and alkylation of the carbon is possible. Once alkylated, the 1,3-dithiane becomes a “protected” carbonyl as it can be hydrolyzed to the corresponding carbonyl structure. Alternatively, the 1,3-dithiane moiety may also be introduced by thioacetalisation of a carbonyl group, either using acid or Lewis acid catalysis, 12 or of a 1,1-dihalide (using transition metal catalysis).

Synthesis Reference(s)

Tetrahedron Letters, 29, p. 4477, 1988 DOI: 10.1016/S0040-4039(00)80527-4

General Description

1,3-Dithiane, a protected formaldehyde anion equivalent, serves as useful labeled synthon.

Purification Methods

Crystallise the 1,3-dithiane from 1.5 times its weight of MeOH at 0o, and sublime it at 40-50o/0.1mm. [Groel & Seebach Synthesis 357 1977, Beilstein 19/1 V 13.]

1,3-Dithiane Preparation Products And Raw materials

Raw materials

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