Ethyl 1,3-dithiane-2-carboxylate

ALDRICH/43749 - technical, ≥90% (GC)

Synonym: Glyoxylic acid ethyl ester trimethylenemercaptal

CAS Number: 20462-00-4
Empirical Formula (Hill Notation): C₇H₁₂O₂S₂
Molecular Weight: 192.30
EC Number: 243-838-4
MDL Number: MFCD00006657
Linear Formula: C₇H₁₂O₂S₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-43749-5ML	5 mL	$23.30 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	≥90% (GC)
bp	75-77 °C/0.2 mmHg (lit.)
density	1.22 g/mL at 25 °C (lit.)
functional group	ester
	thioether
grade	technical
InChI	1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
InChI key	ANEDZEVDORCLPM-UHFFFAOYSA-N
Quality Level	200
refractive index	n20/D 1.539 (lit.)
	n20/D 1.541
SMILES string	CCOC(=O)C1SCCCS1

General description:

Ethyl 1,3-dithiane-2-carboxylate is an α-keto acid equivalent and bulky equivalent of acetate. It participates in syn-selective aldol reactions. It can be prepared from the reaction of ethyl diethoxyacetate and 1,3-propanedithiol in the presence of BF₃/Et₂O. Asymmetric oxidation of ethyl 1,3-dithiane-2-carboxylate by Modena protocol has been reported to afford trans bis-sulfoxide in 60% yield. Carbanion from ethyl 1,3-dithiane-2-carboxylate may be employed for the preparation of α-keto esters.

Packaging:

5 mL in glass bottle

Symbol	GHS02
Signal word	Warning
Hazard statements	H226
Risk Statements	10
Safety Statements	26-36/37/39-45
RIDADR	UN 3272 3 / PGIII
WGK Germany	WGK 3
Flash Point(F)	131.0 °F - closed cup
Flash Point(C)	55 °C - closed cup

Purity	≥90% (GC)
bp	75-77 °C/0.2 mmHg (lit.)
Density	1.22 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.539 (lit.); n20/D 1.541
UNSPSC	12352100

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