4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride

Name: 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 116529-31-8
Cat. No. CS-D1060
Purity≥98%
MDL No.MFCD11114559

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride|CS-D1060

Structure of 116529-31-8

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General Information

CAS No. 116529-31-8
Cat. No. CS-D1060
Purity ≥98%
MDL No. MFCD11114559
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₁₂ClNO₂S
Molecular Weight 185.67
Synonym(s) Tetrahydro-2H-thiopyran-4-amine 1,1-dioxide hydrochloride
SMILES O=S1(CCC(N)CC1)=O.Cl

Description

4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride features a saturated thiopyran ring with a sulfonamide-like moiety and a primary amine group. This bench-stable, moisture-tolerant compound integrates readily into medicinal chemistry scaffolds, offering enhanced solubility and metabolic stability in bioactive molecule design.

Application

4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride serves as a stable, bench-ready sulfonamide-containing heterocyclic building block. It functions as a versatile scaffold for medicinal chemistry and catalytic transformations, offering orthogonal reactivity for amine derivatization and compatibility with standard coupling protocols. The hydrochloride salt enhances solubility and handling, facilitating purification and integration into multi-step syntheses of bioactive molecules.

Synthesis

Route1
- 595597-01-6
- ~99%
- In-stock
  
  116529-31-8
References
- Takeda Pharmaceutical Company Limited Patent: EP2261213 A1, 2010 ; Location in patent: Page/Page column 53 ; EP 2261213 A1
Route2
- 887978-12-3
- ~61%
- In-stock
  
  116529-31-8
References
- TAKEDA PHARMACEUTICAL COMPANY LIMITED; DONG, Qing; LAWSON, John, David; WALLACE, Michael, B.; KANOUNI, Toufike Patent: WO2010/144486 A1, 2010 ; Location in patent: Page/Page column 92 ; WO 2010/144486 A1

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

Quality Control

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Computational Chemistry Data

TPSA 60.16
LogP -0.0559
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Sulfone

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride

CAS No. 116529-31-8

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