1-(1,4-Diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate

Name: 1-(1,4-Diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate
Brand: ChemScene
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CAS No. 2680577-10-8
Cat. No. CS-0620337
Purity≥98%
MDL No.None

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1-(1,4-Diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate|CS-0620337

Structure of 2680577-10-8

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Description

This pyridinium salt features a 1,4-diethoxy-1,4-dioxobutan-2-yl moiety that enhances solubility and reactivity in polar media. The ethyl sulfate counterion ensures good ionic dissociation, facilitating efficient electrophilic transfer in synthetic transformations. Bench-stable under standard conditions, it serves as a robust platform for C–C bond formation and heterocyclic functionalization.

Application

1-(1,4-Diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate serves as a versatile electrophilic acylating agent in synthetic organic chemistry. Its pyridinium core enables efficient transfer of the 1,4-diethoxy-1,4-dioxobutan-2-yl group under mild conditions. The molecule exhibits good bench stability and facilitates clean reactions with nucleophiles, including amines and alcohols, to form substituted amides and esters. Functional group tolerance and ease of purification make it suitable for use in complex molecule assembly and heterocycle synthesis.

General Information

CAS No. 2680577-10-8
Cat. No. CS-0620337
Purity ≥98%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₃NO₈S
Molecular Weight 377.41
Synonym(s) None
SMILES O=C(OCC)CC([N+]1=CC=CC=C1)C(OCC)=O.O=S(OCC)([O-])=O

Computational Chemistry Data

TPSA 122.91
LogP 0.5146
H_Acceptors 8
H_Donors 0
Rotatable_Bonds 8

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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1-(1,4-Diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate

CAS No. 2680577-10-8

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