tert-Butyl hex-5-ynoate

Name: tert-Butyl hex-5-ynoate
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CAS No. 73448-14-3
Cat. No. CS-0523992
Purity≥98%
MDL No.MFCD13192076

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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 73448-14-3

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General Information

CAS No. 73448-14-3
Cat. No. CS-0523992
Purity ≥98%
MDL No. MFCD13192076
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₆O₂
Molecular Weight 168.23
Synonym(s) None
SMILES C#CCCCC(OC(C)(C)C)=O

Description

tert-Butyl hex-5-ynoate features a terminal alkyne group flanked by a sterically hindered tert-butyl ester, enabling robust coupling in transition-metal-catalyzed transformations. This configuration enhances stability under standard conditions while maintaining high reactivity in Sonogashira and Glaser-type reactions.

Application

tert-Butyl hex-5-ynoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to alkynyl-functionalized intermediates. Its terminal alkyne moiety facilitates 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 the linear aliphatic chain supports diverse functionalization strategies in medicinal chemistry and materials synthesis.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 2.1316
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Fatty chain compounds

Life Science Click Chemistry Reagents Alkyne

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

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Key Words

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tert-Butyl hex-5-ynoate

CAS No. 73448-14-3

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