Sodium 3-methoxy-3-oxopropane-1-sulfinate

Name: Sodium 3-methoxy-3-oxopropane-1-sulfinate
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CAS No. 90030-48-1
Cat. No. CS-W008508
Purity≥95%
MDL No.MFCD07776796

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Sodium 3-methoxy-3-oxopropane-1-sulfinate|CS-W008508

Structure of 90030-48-1

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General Information

CAS No. 90030-48-1
Cat. No. CS-W008508
Purity ≥95%
MDL No. MFCD07776796
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₇NaO₄S
Molecular Weight 174.15
Synonym(s) 3-Sulfinopropionic Acid 1-Methyl Ester Sodium Salt
SMILES O=S(CCC(OC)=O)[O-].[Na+]

Description

Sodium 3-methoxy-3-oxopropane-1-sulfinate features a sulfinate group flanked by a methoxy and oxo functionality, enabling selective reactivity in polar environments. This bench-stable intermediate integrates readily into synthetic sequences requiring controlled sulfur incorporation, particularly in the construction of sulfonate-containing motifs under mild conditions.

Application

Sodium 3-methoxy-3-oxopropane-1-sulfinate serves as a versatile synthon in sulfur-containing heterocycle synthesis, enabling efficient access to sulfonamide and sulfone derivatives. Its stability under ambient conditions and compatibility with common functional groups facilitate straightforward incorporation into complex molecular architectures. The molecule functions as a masked acyl sulfinate equivalent, reacting readily with electrophiles to form C–S bond formations pivotal in medicinal chemistry scaffolds.

Synthesis

Route1
- 502635-00-9
- ~93%
- In-stock
  
  90030-48-1
References
- Baskin, Jeremy M; Wang, Zhaoyin Tetrahedron Letters, 2002 , vol. 43, # 47 p. 8479 - 8483

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 66.43
LogP -3.5674
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Other Classifications

General Reagents C-S bond Generation Reagents

Chemical Synthesis Synthetic Reagents C-X(Non-Halogen) Bond Formation C-S Bond Formation

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Sodium 3-methoxy-3-oxopropane-1-sulfinate

CAS No. 90030-48-1

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