3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride

Name: 3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride
Brand: ChemScene
Availability: InStock
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CAS No. 80466-78-0
Cat. No. CS-0055085
Purity≥98%
MDL No.None

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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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3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride|CS-0055085

Structure of 80466-78-0

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General Information

CAS No. 80466-78-0
Cat. No. CS-0055085
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇ClN₂O₂S
Molecular Weight 194.64
Synonym(s) Pyrazole,4-chlorosulfonyl-3,5-dimethyl
SMILES O=S(C1=C(C)NN=C1C)(Cl)=O

Description

3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride features a sulfonyl chloride group flanked by electron-donating methyl substituents, enhancing reactivity while maintaining bench-stable handling. This scaffold integrates readily into pharmaceutical intermediates and bioactive molecule frameworks via efficient acylation or coupling reactions under standard conditions.

Application

3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride serves as a versatile sulfonyl chloride building block for the synthesis of pyrazole-based sulfonamides and sulfonate esters. Its electron-donating methyl groups enhance reactivity while maintaining bench stability, enabling efficient coupling with amines and alcohols under mild conditions. The compound exhibits excellent functional group tolerance and facilitates purification via crystallization or chromatography, making it ideal for medicinal chemistry campaigns and API intermediate development.

Synthesis

Route1
- 67-51-6
- ~48%
- In-stock
  
  80466-78-0
References
- Journal of Heterocyclic Chemistry, , vol. 18, p. 997 - 1006
Route2
- In-stock
  
  7424-54-6
- ~%
- In-stock
  
  80466-78-0
References
- US2013/324576 A1, ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 62.82
LogP 0.95404
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride

CAS No. 80466-78-0

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