Synthesis and crystal structure of (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2-propenamide

Xiao Lin Li; Zheng Fang; Feng Zhang; Wen Bo Zeng; Kai Guo

Synthesis and crystal structure of (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2-propenamide

Xiao Lin Li, Zheng Fang, Feng Zhang, Wen Bo Zeng, Kai Guo

生物与制药工程学院

Nanjing Tech University

科研成果: 期刊稿件 › 文章 › 同行评审

摘要

The title compound (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2- propena-mide (C₁₅H₁₈N₂O₂, M _r = 258.31) was synthesized by the reaction of (S)-α-amino- ε-caprolactam with 3-phenyl-2-propenoyl chloride. Its chemical structure was determined by ¹H NMR, ¹³C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P2₁/n with a = 14.957(3), b = 4.884(1), c = 18.630(4) Å, β = 95.91(3)°, V = 1353.7(5) Å³, Z = 4, D_c = 1.267 g/cm³, μ = 0.085 mm^-1, F(000) = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I > 2 σ(I).

源语言	英语
页（从-至）	851-854
页数	4
期刊	Jiegou Huaxue
卷	33
期	6
出版状态	已出版 - 15 6月 2014

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@article{30669bca26814fdd85875b02991064c3,

title = "Synthesis and crystal structure of (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2-propenamide",

abstract = "The title compound (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2- propena-mide (C15H18N2O2, M r = 258.31) was synthesized by the reaction of (S)-α-amino- ε-caprolactam with 3-phenyl-2-propenoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 14.957(3), b = 4.884(1), c = 18.630(4) {\AA}, β = 95.91(3)°, V = 1353.7(5) {\AA}3, Z = 4, Dc = 1.267 g/cm3, μ = 0.085 mm-1, F(000) = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I > 2 σ(I).",

keywords = "Caprolactam, Crystal structure, Propenamide, Synthesis",

author = "Li, {Xiao Lin} and Zheng Fang and Feng Zhang and Zeng, {Wen Bo} and Kai Guo",

year = "2014",

month = jun,

day = "15",

language = "英语",

volume = "33",

pages = "851--854",

journal = "Jiegou Huaxue",

issn = "0254-5861",

publisher = "Fujian Institute of Research of the Structure of Matter",

number = "6",

}

TY - JOUR

T1 - Synthesis and crystal structure of (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2-propenamide

AU - Li, Xiao Lin

AU - Fang, Zheng

AU - Zhang, Feng

AU - Zeng, Wen Bo

AU - Guo, Kai

PY - 2014/6/15

Y1 - 2014/6/15

N2 - The title compound (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2- propena-mide (C15H18N2O2, M r = 258.31) was synthesized by the reaction of (S)-α-amino- ε-caprolactam with 3-phenyl-2-propenoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 14.957(3), b = 4.884(1), c = 18.630(4) Å, β = 95.91(3)°, V = 1353.7(5) Å3, Z = 4, Dc = 1.267 g/cm3, μ = 0.085 mm-1, F(000) = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I > 2 σ(I).

AB - The title compound (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2- propena-mide (C15H18N2O2, M r = 258.31) was synthesized by the reaction of (S)-α-amino- ε-caprolactam with 3-phenyl-2-propenoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 14.957(3), b = 4.884(1), c = 18.630(4) Å, β = 95.91(3)°, V = 1353.7(5) Å3, Z = 4, Dc = 1.267 g/cm3, μ = 0.085 mm-1, F(000) = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I > 2 σ(I).

KW - Caprolactam

KW - Crystal structure

KW - Propenamide

KW - Synthesis

UR - http://www.scopus.com/inward/record.url?scp=84903783372&partnerID=8YFLogxK

M3 - 文章

AN - SCOPUS:84903783372

SN - 0254-5861

VL - 33

SP - 851

EP - 854

JO - Jiegou Huaxue

JF - Jiegou Huaxue

IS - 6

ER -

Synthesis and crystal structure of (S)-N-(hexahydro-2-oxo-1 H-azepin-3-yl)-3-phenyl-2-propenamide

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