2117-11-5 Usage
Description
4-Pentyn-2-ol, a secondary homopropargylic alcohol, is a toxic compound with an LC50 value of 160. It is characterized by its clear, colorless to pale yellow liquid appearance.
Uses
Used in Environmental Studies:
4-Pentyn-2-ol is used as a reference compound in Quantitative Structure-Activity Relationship (QSAR) studies for assessing the toxicity levels of organic compounds in environmental situations. This application aids in understanding the potential hazards and risks associated with the presence of such compounds in the environment.
Used in Chemical Synthesis:
In the field of chemical synthesis, 4-Pentyn-2-ol serves as a key intermediate in the preparation of various complex molecules. It is used in the synthesis of Fischer-type rhenium(III) benzoyldiazenido-2-oxacyclocarbenes, which are important for studying the properties and reactivity of metal complexes. Additionally, 4-Pentyn-2-ol is utilized in the preparation of C-aryl glycosides through a cycloaddition reaction with an aryl nitrile oxide, which is a valuable method for constructing carbohydrate derivatives with potential applications in pharmaceuticals and materials science.
Check Digit Verification of cas no
The CAS Registry Mumber 2117-11-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,1 and 7 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 2117-11:
(6*2)+(5*1)+(4*1)+(3*7)+(2*1)+(1*1)=45
45 % 10 = 5
So 2117-11-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3
2117-11-5Relevant articles and documents
An improved synthesis of racemic parasorbic acid
Eicher,Graf,Pick
, p. 91 - 93 (1986)
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Regio-Divergent C—H Alkynylation with Janus Directing Strategy via Ir(III) Catalysis
Li, Xianwei,Liang, Guangxin,Shi, Zhang-Jie
supporting information, p. 929 - 934 (2020/06/02)
Directing strategy has been extensively exploited to maintain activity and selectivity for the rapid access to functionalized molecules and pharmaceutical targets. However, ‘one-to-one’ activation model was usually achieved through traditional directing strategy. Herein, we achieved ‘one-to-two’ activation model by slight modification of simple and practical ketoxime and amide functionality. With judicious choice of directing groups, Csp3—H and Csp2—H bond alkynylation reaction, and more significantly, dehydrogenative Csp3—H alkynylation, were realized, enabling the regio-divergent late-stage modifications of pharmaceuticals.
Synthesis of substituted α-methylene-γ-butyrolactones from chloroformates via palladium catalysed cyclisation-anion capture
Grigg,Savic
, p. 2381 - 2382 (2007/10/03)
Cyclisation of chloroformates onto proximate alkyne functionality in the presence of a Pd(0) catalyst followed by anion capture affords α-methylene-γ-butyrolactone derivatives in moderate to good yields.