tert-Butyl pent-4-ynoate

Name: tert-Butyl pent-4-ynoate
Brand: ChemScene
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CAS No. 185986-76-9
Cat. No. CS-0088785
Purity≥98%
MDL No.MFCD28361964

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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. 185986-76-9
Cat. No. CS-0088785
Purity ≥98%
MDL No. MFCD28361964
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₄O₂
Molecular Weight 154.21
Synonym(s) None
SMILES O=C(OC(C)(C)C)CCC#C

Description

tert-Butyl pent-4-ynoate features a terminal alkyne group flanked by an ester functionality, enabling direct incorporation into click chemistry and transition-metal-catalyzed coupling reactions. This bench-stable, moisture-tolerant reagent integrates readily into synthetic sequences requiring selective C–C bond formation or conjugation with azide-bearing partners.

Application

tert-Butyl pent-4-ynoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to alkynyl-functionalized intermediates. Its terminal alkyne moiety facilitates reliable copper-catalyzed azide-alkyne cycloaddition (CuAAC) and other transition-metal-coupling reactions. The tert-butyl ester group provides excellent bench stability and simplifies purification, while tolerating a range of reaction conditions. This compound functions as a key scaffold for constructing heterocycles and complex molecular architectures in medicinal and materials chemistry.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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 26.3
LogP 1.7415
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Boc

Building Blocks Functional Group Ester

Key Words

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tert-Butyl pent-4-ynoate

CAS No. 185986-76-9

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