303666
2-Butynoic acid
98%
Sinônimo(s):
Tetrolic acid
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About This Item
Fórmula linear:
CH3C≡CCO2H
Número CAS:
Peso molecular:
84.07
Número CE:
Número MDL:
Código UNSPSC:
12352100
ID de substância PubChem:
NACRES:
NA.22
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Nível de qualidade
Ensaio
98%
Formulário
solid
pf
78-80 °C (lit.)
grupo funcional
carboxylic acid
cadeia de caracteres SMILES
CC#CC(O)=O
InChI
1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
chave InChI
LUEHNHVFDCZTGL-UHFFFAOYSA-N
Categorias relacionadas
Descrição geral
The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy.
Aplicação
2-Butynoic acid was employed as synthon in a variety of reactions, including cycloacylation of phenols to flavones and chromones, and cyclization to γ-butyrolactones. It was also used in synthesis of Z-trisubstituted olefins via γ-alkylation.
Palavra indicadora
Danger
Frases de perigo
Declarações de precaução
Classificações de perigo
Eye Dam. 1 - Skin Corr. 1B
Código de classe de armazenamento
8A - Combustible corrosive hazardous materials
Classe de risco de água (WGK)
WGK 3
Equipamento de proteção individual
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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Almost free methyl top internal rotation: Rotational spectrum of 2-butynoic acid.
Ilyushin V, et al.
Journal of Molecular Spectroscopy, 267(1), 186-190 (2011)
gamma.-Alkylation of 2-butynoic acid. Route to controlled prenol homologation.
Pitzele BS, et al.
The Journal of Organic Chemistry, 40(2), 269-270 (1975)
Jie Chen et al.
The journal of physical chemistry. B, 112(26), 7794-7802 (2008-06-06)
The solution behavior of a model compound, tetrolic acid (TTA), is studied via molecular dynamics simulations in four organic solvents. The results suggest that strong interactions between TTA and solvent molecules (ethanol or dioxane) prevent the formation of carboxylic acid
S Parveen et al.
Chemical communications (Cambridge, England), (12)(12), 1531-1533 (2005-03-17)
The application of FTIR spectroscopy to concentrated solutions of tetrolic acid shows, for the first time, a direct relationship between molecular self association in solution and H-bonded motifs in the subsequently crystallised solid phases.
I A Mjör et al.
Journal of dental research, 61(8), 967-972 (1982-08-01)
Adhesive bonding of resins to dentin surfaces requires the removal of the layer of debris caused by the cutting. Certain isotonic acidic solutions can do this rapidly. Five solutions were evaluated using cell cultures and pulp studies in monkeys. At
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