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Ethyl 1,3-dithiane-2-carboxylate_Molecular_structure_CAS_20462-00-4)
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Ethyl 1,3-dithiane-2-carboxylate

Catalog No. L00663 Name Alfa Aesar
CAS Number 20462-00-4 Website
M. F. C7H12O2S2 Telephone
M. W. 192.29898 Fax
Purity 98+% Email
Storage Chembase ID: 138963

SYNONYMS

Title
1,3-二噻烷-2-甲酸乙酯
IUPAC name
ethyl 1,3-dithiane-2-carboxylate
IUPAC Traditional name
ethyl 1,3-dithiane-2-carboxylate
Synonyms
2-Carboethoxy-1,3-dithiane
1,3-Dithiane-2-carboxylic acid ethyl ester

DATABASE IDS

Beilstein Number 1424352
EC Number 243-838-4
MDL Number MFCD00006657
CAS Number 20462-00-4

PROPERTIES

Purity 98+%
Boiling Point 75-77°C/0.2mm
Density 1.220
Flash Point 54°C(129°F)
Melting Point 19-21°C
Refractive Index 1.5400
Risk Statements 10
TSCA Listed
Hazard Class 3
UN Number UN1993
Packing Group III
GHS Pictograms GHS02
GHS Hazard statements H226
GHS Precautionary statements P210-P241-P280-P303+P361+P353-P403+P235-P501A

DETAILS

REFERENCES

  • Alkylation of the anion provides a route to ɑ-keto acids (by dethioketalization with NBS), or to substituted acetic acids (by desulfurization): J. Org. Chem., 37, 505 (1972). For phase-transfer alkylation using allylic bromides, see: Liebigs Ann. Chem., 1589 (1982). With crotyl bromide, approx. 95% allylic rearrangement occurs.
  • The lithiated derivative undergoes 1,4- (Michael) addition to a variety of ɑ?-unsaturated compounds. However, the Mg derivative prepared by metallation with an alkylmagnesium halide gives an allylic alcohol by 1,2-addition: Chem. Ber., 114, 2924 (1981).