3-Isopropylbenzene-1-sulfonyl chloride

Name: 3-Isopropylbenzene-1-sulfonyl chloride
Brand: ChemScene
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CAS No. 71530-58-0
Cat. No. CS-0154283
Purity≥95%
MDL No.MFCD09730000

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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3-Isopropylbenzene-1-sulfonyl chloride|CS-0154283

Structure of 71530-58-0

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General Information

CAS No. 71530-58-0
Cat. No. CS-0154283
Purity ≥95%
MDL No. MFCD09730000
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁ClO₂S
Molecular Weight 218.70
Synonym(s) 3-Isopropylbenzenesulfonyl chloride
SMILES CC(C)C1=CC(=CC=C1)S(=O)(=O)Cl

Description

3-Isopropylbenzene-1-sulfonyl chloride features a sulfonyl chloride group attached to a para-substituted isopropylbenzene scaffold, delivering high reactivity for sulfonamide synthesis. The electron-donating isopropyl group enhances solubility and stability under standard conditions, enabling efficient coupling in pharmaceutical and agrochemical derivatization workflows.

Application

3-Isopropylbenzene-1-sulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of the 3-isopropylbenzenesulfonyl group into target molecules. It enables robust functionalization of nucleophiles such as amines and alcohols under mild conditions, with good bench stability and straightforward purification. The electron-donating isopropyl substituent enhances reactivity while maintaining compatibility with diverse functional groups, making it a reliable building block in the synthesis of sulfonamide-containing pharmaceutical intermediates and specialty materials.

Synthesis

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- 54997-90-9
- In-stock
  
  16066-35-6
- 22033-07-4
- 61738-47-4
- In-stock
  
  71530-58-0
- 22033-08-5
References
- Krylov, E.N.; Odintsova, G.N. Journal of Organic Chemistry USSR (English Translation), 1982 , vol. 18, p. 1695 - 1701 Zhurnal Organicheskoi Khimii, 1982 , vol. 18, # 9 p. 1936 - 1942

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 34.14
LogP 2.7375
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Isopropylbenzene-1-sulfonyl chloride

CAS No. 71530-58-0

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