1-Ethynyl-4-propylbenzene

Name: 1-Ethynyl-4-propylbenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 62452-73-7
Cat. No. CS-W016378
Purity≥97%
MDL No.MFCD00173886

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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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Structure of 62452-73-7

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General Information

CAS No. 62452-73-7
Cat. No. CS-W016378
Purity ≥97%
MDL No. MFCD00173886
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂
Molecular Weight 144.22
Synonym(s) P-PROPYLPHENYLACETYLENE; 1-Ethynyl-4-propylbenzene
SMILES C(CC)C1=CC=C(C=C1)C#C

Description

1-Ethynyl-4-propylbenzene features a terminal alkyne group appended to a para-substituted benzene ring bearing a propyl chain. This structure enables efficient copper-catalyzed coupling reactions, delivering robust access to conjugated systems in synthetic organic chemistry and materials science applications.

Application

1-Ethynyl-4-propylbenzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated enynes and aryl-substituted alkynes. Its terminal alkyne functionality facilitates reliable Sonogashira coupling under mild conditions, while the propyl-substituted aromatic ring provides steric and electronic stability. The compound exhibits excellent bench stability, simplifies purification via standard chromatography, and functions reliably in the synthesis of functionalized π-conjugated systems and advanced heterocyclic scaffolds.

Synthesis

Route1
- 141743-48-8
- ~%
- In-stock
  
  62452-73-7
References
- Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, , vol. 250, p. 303 - 314
Route2
- 28785-06-0
- ~%
- In-stock
  
  62452-73-7
References
- Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, , vol. 250, p. 303 - 314

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-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 0
LogP 2.6204
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Material Science Material Composite Block Liquid Crystal (LC) Block

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Ethynylbenzenes

Key Words

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1-Ethynyl-4-propylbenzene

CAS No. 62452-73-7

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