tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate

Name: tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate
Brand: ChemScene
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CAS No. 935845-20-8
Cat. No. CS-0035576
Purity≥97%
MDL No.MFCD09909937

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tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate|CS-0035576

Structure of 935845-20-8

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General Information

CAS No. 935845-20-8
Cat. No. CS-0035576
Purity ≥97%
MDL No. MFCD09909937
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₆ClNO₄S
Molecular Weight 269.74
Synonym(s) None
SMILES CC(C)(OC(N1CCC(S(=O)(Cl)=O)C1)=O)C

Description

tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate features a chlorosulfonyl group that enables direct sulfonamide formation, delivering a reactive handle for late-stage functionalization in medicinal chemistry. This bench-stable reagent integrates seamlessly into synthetic sequences requiring selective sulfonylation under mild conditions.

Application

tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate serves as a versatile pyrrolidine-based sulfonating agent, enabling direct introduction of chlorosulfonyl groups at the C3 position. Its stability under standard bench conditions facilitates handling and purification, while the tert-butyl ester provides orthogonal protection for subsequent functionalization. The molecule functions effectively in nucleophilic substitution reactions and enables access to sulfonated heterocyclic scaffolds relevant to medicinal chemistry and process development.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3265
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P280-P301+P330+P331-P304+P340

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Computational Chemistry Data

TPSA 63.68
LogP 1.5644
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Sulfonyl Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate

CAS No. 935845-20-8

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