55314-57-3

Basic information

• Product Name: ETHYL 2-PENTYNOATE
• Synonyms: ETHYL 2-PENTYNOATE;TIMTEC-BB SBB008819;2-Pentynoic acid ethyl ester;ethyl pent-2-yn-1-oate;Ethyl2-pentynoate,98+%;ethyl pent-2-ynoate;Ethyl 2-pentynoate 97%;NSC 190964
• CAS NO: 55314-57-3
• Molecular Formula: C₇H₁₀O₂
• Molecular Weight: 126.15
• EINECS: 259-588-4
• Product Categories: C6 to C7;Carbonyl Compounds;Esters;Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 55314-57-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 178-179 °C(lit.)
• Flash Point: 102 °F
• Appearance: /
• Density: 0.957 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.734mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Storage Temp.: 2-8°C
• Water Solubility: Not miscible in water.
• BRN: 1750016
• CAS DataBase Reference: ETHYL 2-PENTYNOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-PENTYNOATE(55314-57-3)
• EPA Substance Registry System: ETHYL 2-PENTYNOATE(55314-57-3)

Safety Data

• Hazard Codes: Xi
• Statements: 10-43
• Safety Statements: 16-37/39
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 55314-57-3(Hazardous Substances Data)

Usage

Uses

Ethyl 2-pentynoate is used as pharmaceutical intermediate.

InChI:InChI=1/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3

Upstream product

• 1474-33-5 ethyl 3-oxo-2-triphenylphosphoranylidenepentanoate 
• 20635-10-3 1-ethoxy-pent-2-yne 
• 4949-44-4 ethyl propanoylacetate 
• 541-41-3 chloroformic acid ethyl ester 
• 75-03-6 ethyl iodide 
• 623-47-2 propynoic acid ethyl ester 
• 64-17-5 ethanol 
• 5963-77-9 pent-2-ynoic acid 

Downstream Products

• 682757-68-2 ethyl 5-ethyl-1,2,3-triazole-4-carboxylate 
• 1088710-59-1 (PPN)[Ru(P₃O₉)(dppe)(EtCCCOOEt)] 
• 1312891-92-1 (E)-3-(4-{[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl}phenyl)acrylic acid methyl ester 
• 1312891-55-6 (E)-N-hydroxy-3-(4-{[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl}phenyl)acrylamide 
• 1312891-95-4 (E)-3-[4-({[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl]isopropylamino}methyl)phenyl]acrylic acid methyl ester 
• 1312891-58-9 (E)-N-hydroxy-3-[4-({[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl]isopropylamino}methyl)phenyl]acrylamide 
• 1528-59-2 ethyl (E)-3-phenylpent-2-enoate 
• 1428243-27-9 (3R,4S)-benzyl 3-(2-(tert-butoxycarbonyl(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)amino)acetyl)-4-ethylpyrrolidine-1-carboxylate 
• 1428243-26-8 (3R,4S)-benzyl 3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate 

Relevant articles and documents

Mild propargylic oxidation using a diacetoxyiodobenzene/tert-butyl hydroperoxide protocol

A mild propargylic oxidation of alkynes is reported using a diacetoxyiodobenzene/tert-butyl hydroperoxide (DIB/TBHP) protocol. The reactions proceed smoothly at 0 °C and a number of α,β-unsaturated alkynoic ketones are obtained.

Deprotonation of β,β-disubstituted α,β-unsaturated amides -Mechanism and stereochemical consequences

A detailed study of the lithium dialkylamide induced deprotonation of β,β-disubstituted α,β-unsaturated amides is presented. The preferential γ-Z-deprotonation and stereochemical outcome of substituents on the γ-Z carbon atom are rationalized in terms of a cyclic eight-membered transition state, which is supported by DFT calculations. Analogous deprotonations on cyclohexylidenecarboxamides reveal a delicate balance of the preference for the eight-membered cyclic transition state with the effects of existing substituents on the ring and the intervention of a twist-boat transition state.