4-(1,3,5-Triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate

Name: 4-(1,3,5-Triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate
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CAS No. 1430837-91-4
Cat. No. CS-0437051
Purity≥97%
MDL No.None

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4-(1,3,5-Triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate|CS-0437051

Structure of 1430837-91-4

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General Information

CAS No. 1430837-91-4
Cat. No. CS-0437051
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₂₀N₃O₃PS
Molecular Weight 293.32
Synonym(s) 3,5-Diaza-1-azonia-7-phosphatricyclo[3.3.1.13,7]decane, 1-(4-sulfobutyl)-, inner salt
SMILES O=S(CCCC[N+]1(C2)CN3CN2CP(C3)C1)([O-])=O

Application

4-(1,3,5-Triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate serves as a robust, bench-stable sulfonate reagent enabling efficient alkylation of nucleophiles under mild conditions. The triazaphosphaadamantane cation imparts high functional group tolerance and solubility in polar aprotic media, while the butane-1-sulfonate moiety facilitates clean displacement reactions. This compound functions as a versatile building block for constructing phosphorus-containing heterocycles and bioactive scaffolds in medicinal chemistry workflows.

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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Computational Chemistry Data

TPSA 63.68
LogP 0.0003
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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4-(1,3,5-Triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate

CAS No. 1430837-91-4

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