Isoquinoline-5-sulfonyl chloride

Name: Isoquinoline-5-sulfonyl chloride
Brand: ChemScene
Availability: InStock
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CAS No. 84468-15-5
Cat. No. CS-0142053
Purity≥98%
MDL No.MFCD00270016

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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+
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Isoquinoline-5-sulfonyl chloride|CS-0142053

Structure of 84468-15-5

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General Information

CAS No. 84468-15-5
Cat. No. CS-0142053
Purity ≥98%
MDL No. MFCD00270016
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClNO₂S
Molecular Weight 227.67
Synonym(s) Isoquinoline-5-sulfonylchlorideHCl
SMILES O=S(C1=CC=CC2=C1C=CN=C2)(Cl)=O

Description

Isoquinoline-5-sulfonyl chloride features a reactive sulfonyl chloride group appended to an electron-rich isoquinoline core, enabling efficient coupling in amide bond formation. This scaffold delivers high functional group tolerance and stability under standard bench conditions, making it ideal for synthesizing bioactive sulfonamide derivatives in medicinal chemistry workflows.

Application

Isoquinoline-5-sulfonyl chloride serves as a versatile building block for the synthesis of sulfonamide-containing heterocycles, enabling efficient introduction of a sulfonyl group at the 5-position of isoquinoline. Its reactivity facilitates nucleophilic substitution with amines under mild conditions, offering high functional group tolerance and ease of purification. The compound exhibits good bench stability and is well-suited for use in medicinal chemistry campaigns targeting kinase inhibitors and other bioactive scaffolds.

Synthesis

Route1
- In-stock
  
  27655-40-9
- ~81%
- In-stock
  
  84468-15-5
References
- Ortho-McNeil Pharmaceutical, Inc. Patent: EP906091 B1, 2006 ; Location in patent: Page/Page column 48 ;
Route2
- In-stock
  
  105627-79-0
- ~%
- In-stock
  
  84468-15-5
References
- Bioorganic and Medicinal Chemistry, , vol. 21, # 18 p. 5694 - 5706

Safety Information

Download SDS

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

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Computational Chemistry Data

TPSA 47.03
LogP 2.1623
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

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Isoquinoline-5-sulfonyl chloride

CAS No. 84468-15-5

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