Prop-2-yn-1-yl 4-methylbenzenesulfonate

Name: Prop-2-yn-1-yl 4-methylbenzenesulfonate
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CAS No. 6165-76-0
Cat. No. CS-W015112
Purity≥98%
MDL No.MFCD01462194

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Prop-2-yn-1-yl 4-methylbenzenesulfonate|CS-W015112

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General Information

CAS No. 6165-76-0
Cat. No. CS-W015112
Purity ≥98%
MDL No. MFCD01462194
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀O₃S
Molecular Weight 210.25
Synonym(s) p-Toluenesulfonic Acid Propargyl Ester
SMILES O=S(C1=CC=C(C)C=C1)(OCC#C)=O

Description

4-Sulfamoylbenzoic acid also known as 4-carboxybenzenesulfonamide, is a sulfonamide derivative of benzoic acid. It is a crosslinking reagent used widely in organic synthesis.4-Sulfamoylbenzoic acid is used to synthesize 4-sulfamoylbenzoyl chloride and isocyanate derivatives. Additionally, it can be used in the esterification of alcohols.

Application

Prop-2-yn-1-yl 4-methylbenzenesulfonate serves as a robust allylating and propargylating agent, enabling efficient C–H functionalization under mild conditions. Its stability under ambient storage and compatibility with diverse nucleophiles facilitate straightforward incorporation into complex molecular architectures. The sulfonate leaving group ensures high reactivity in SN2-type transformations, making it a practical choice for building blocks in synthetic organic chemistry workflows.

Synthesis

Route1
- 107-19-7
- 98-59-9
- ~93%
- In-stock
  
  6165-76-0
References
- Srinivasan, Rajavel; Uttamchandani, Mahesh; Yao, Shao Q. Organic Letters, 2006 , vol. 8, # 4 p. 713 - 716

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 43.37
LogP 1.33352
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Sulfonate

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Key Words

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Prop-2-yn-1-yl 4-methylbenzenesulfonate

CAS No. 6165-76-0

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