303666
2-丁炔酸
98%
别名:
丁炔酸
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关于此项目
线性分子式:
CH3C≡CCO2H
化学文摘社编号:
分子量:
84.07
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
209-695-7
MDL number:
Assay:
98%
Form:
solid
InChI key
LUEHNHVFDCZTGL-UHFFFAOYSA-N
InChI
1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
SMILES string
CC#CC(O)=O
assay
98%
form
solid
mp
78-80 °C (lit.)
functional group
carboxylic acid
Quality Level
General description
已经通过脉冲超声速射流傅里叶变换微波光谱法测量了2-丁炔酸的旋光谱。
Application
2-丁炔酸作为合成子被用于各种反应，包括酚类与黄酮和色酮的环化反应，以及环化成γ-丁内酯。 它还被用于通过γ-烷基化合成Z-三取代的烯烃。
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
存储类别
8A - Combustible corrosive hazardous materials
wgk
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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.
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
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)
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)
The Journal of Organic Chemistry, 55, 4349-4349 (1990)
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