108421
氰基乙酸甲酯
99%
别名:
Methyl 2-cyanoacetate
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线性分子式:
NCCH2COOCH3
化学文摘社编号:
分子量:
99.09
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39031513
UNSPSC Code:
12352100
EC Number:
203-288-8
MDL number:
Beilstein/REAXYS Number:
773945
Assay:
99%
产品名称
氰基乙酸甲酯, 99%
InChI key
ANGDWNBGPBMQHW-UHFFFAOYSA-N
InChI
1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
SMILES string
COC(=O)CC#N
vapor density
3.41 (vs air)
vapor pressure
0.2 mmHg ( 20 °C)
assay
99%
refractive index
n20/D 1.417 (lit.)
bp
204-207 °C (lit.)
mp
−13 °C (lit.)
density
1.123 g/mL at 25 °C (lit.)
functional group
ester
nitrile
Quality Level
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Application
氰乙酸甲酯可用于合成各种 1,2,5-三羰基化合物 。
General description
氰基乙酸甲酯是药物有机合成以及合成农业中使用的一些生物活性化合物的中间产物 。它与芳香醛发生方解石或萤石催化的 Knövenagel 缩合反应，得到相应的的芳亚芳基马来腈和 ( E )-α-氰酸酯 。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Gloves
Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study.
Reva ID, et al
Physical Chemistry Chemical Physics, 3(19), 4235-4241 (2011)
Construction of 1, 2, 5-Tricarbonyl Compounds using Methyl Cyanoacetate as a Glyoxylate Anion Synthon Combined with Copper (I) Iodide-Catalyzed Aerobic Oxidation.
Kim SH, et al.
Advanced Synthesis & Catalysis, 353(18), 3335-3339 (2011)
Calcite and fluorite as catalyst for the Knovenagel condensation of malononitrile and methyl cyanoacetate under solvent-free conditions.
Wada S and Suzuki H.
Tetrahedron Letters, 44(2), 399-401 (2003)
Aerobic dissipation of the novel cyanoacrylate fungicide phenamacril in soil and sludge incubations.
Søren S Donau et al.
Chemosphere, 233, 873-878 (2019-07-26)
The cyanoacrylate ethyl (2Z)-3-amino-2-cyano-3-phenylacrylate (phenamacril), has been introduced as an effective agent against several fungi species belonging to the Fusarium genus. However, in current literature, knowledge about the environmental behavior of this fungicide is limited and there are no data
Yulia Kaluzhny et al.
Alternatives to laboratory animals : ATLA, 43(2), 101-127 (2015-05-23)
The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the human response to chemicals, cosmetics and other
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