(3-甲氧基丙氨基-2-环己烯-1-亚基)氰乙酸乙氧基乙酯

(3-甲氧基丙氨基-2-环己烯-1-亚基)氰乙酸乙氧基乙酯
别名	Mexoryl 400
识别
CAS号	1419401-88-9
PubChem	71226339
SMILES	CCOCCOC(=O)C(=C1CCCC(=C1)NCCCOC)C#N;
InChI	1S/C17H26N2O4/c1-3-22-10-11-23-17(20)16(13-18)14-6-4-7-15(12-14)19-8-5-9-21-2/h12,19H,3-11H2,1-2H3/b16-14-;
InChIKey	NPNDSRGIZUPLNP-PEZBUJJGSA-N
性质
化学式	C17H26N2O4
摩尔质量	322.4 g·mol−1
外观	黄色固体
log P	1.7
pKa	13.3
λmax	385 nm
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

(3-甲氧基丙氨基-2-环己烯-1-亚基)氰乙酸乙氧基乙酯是一种有机化合物，化学式为C₁₇H₂₆N₂O₄。它微溶于水（0.45 g/L）和矿物油（0.01 g/L），易溶于苯氧乙醇（318 g/L）。^[1]它可以3-(3-甲氧基丙氨基)-2-环己烯-1-酮、硫酸二乙酯和氰乙酸乙氧基乙酯为原料反应制得。^[2]

参考文献

^ OPINION ON Methoxypropylamino Cyclohexenylidene Ethoxyethylcyanoacetate (S87) - Submission II - (pdf) (PDF). Scientific Committee on Consumer Safety. 2019-12-13 [2024-07-31].
^ Barbara Winkler; et al. A cyclic merocyanine UV-A absorber: mechanism of formation and crystal structure. Tetrahedron Letters. 2014. 55 (10): 1749-1751. doi:10.1016/j.tetlet.2014.01.113.

[1] OPINION ON Methoxypropylamino Cyclohexenylidene Ethoxyethylcyanoacetate (S87) - Submission II - (pdf) (PDF). Scientific Committee on Consumer Safety. 2019-12-13 [2024-07-31].

[2] Barbara Winkler; et al. A cyclic merocyanine UV-A absorber: mechanism of formation and crystal structure. Tetrahedron Letters. 2014. 55 (10): 1749-1751. doi:10.1016/j.tetlet.2014.01.113.

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