Methyl pent-4-ynoate

Name: Methyl pent-4-ynoate
Brand: ChemScene
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CAS No. 21565-82-2
Cat. No. CS-0137200
Purity≥95%
MDL No.MFCD12025043

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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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General Information

CAS No. 21565-82-2
Cat. No. CS-0137200
Purity ≥95%
MDL No. MFCD12025043
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₈O₂
Molecular Weight 112.13
Synonym(s) Pent-4-ynoic acid methyl ester
SMILES C#CCCC(OC)=O

Description

Methyl pent-4-ynoate is a linear alkyne-containing ester featuring a terminal acetylene group flanked by a methyl ester. This compound serves as a valuable building block in transition-metal-catalyzed coupling reactions, where the alkyne moiety enables efficient C–C bond formation. Its stability under standard conditions and compatibility with palladium- and copper-based catalytic systems make it well-suited for synthetic applications in organic and medicinal chemistry.

Application

Methyl pent-4-ynoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated enynes and functionalized heterocycles. Its terminal alkyne moiety facilitates reliable copper-catalyzed coupling reactions, while the ester group supports selective transformations under mild conditions. The compound exhibits excellent bench stability and is readily purified by distillation or flash chromatography, making it well-suited for iterative synthesis and scale-up applications.

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 3272
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 0.5728
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Fatty chain compounds

Building Blocks Functional Group Alkyne

Building Blocks Functional Group Ester

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

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

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Methyl pent-4-ynoate

CAS No. 21565-82-2

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