Synthesis and crystal structure of 5-(3,4-dimethoxyphenyl)-1-phenyl-3- hydroxypyrazole

Ji Ma; Hong Jun Zhu; Chang Mei Wei; Guang Liang Song; Jin Tang Wang

Synthesis and crystal structure of 5-(3,4-dimethoxyphenyl)-1-phenyl-3- hydroxypyrazole

Ji Ma, Hong Jun Zhu, Chang Mei Wei, Guang Liang Song, Jin Tang Wang

School of Chemistry and Moleculai Engineering

Nanjing Tech University

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The title compound (C₁₇H₁₆N₂O₃) has been prepared by the oxidation of 1,5-diarylpyrzolidin-3-one with oxygen in the presence of FeCl₃, and its structure was characterized by elemental analysis, IR, ¹H NMR and X-ray single-crystal diffraction analysis. The crystal belongs to triclinic, space group P1̄ with a = 6.6600(13), b = 8.4200(17), c =14.060(3) Å, α = 85.61(3), β = 76.89(3), γ = 81.18(3)°, Z = 2, D_c = 1.298 g/cm ³, μ = 0.090mm^-1, F(000) = 312, R = 0.048 and wR = 0.1231. X-ray analysis revealed that there exist a large conjugation system in the pyrazole ring, a stable enol form and intermolecular hydrogen bonding as well as network structure in the crystal.

Original language	English
Pages (from-to)	1312-1315
Number of pages	4
Journal	Jiegou Huaxue
Volume	23
Issue number	11
State	Published - 2004

Keywords

3-hydroxypyrazole
Crystal structure
Pyrzolidinone
Synthesis
Thermal property

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@article{58d5855f51c244ceaaa16f6ee2a9d347,

title = "Synthesis and crystal structure of 5-(3,4-dimethoxyphenyl)-1-phenyl-3- hydroxypyrazole",

abstract = "The title compound (C17H16N2O3) has been prepared by the oxidation of 1,5-diarylpyrzolidin-3-one with oxygen in the presence of FeCl3, and its structure was characterized by elemental analysis, IR, 1H NMR and X-ray single-crystal diffraction analysis. The crystal belongs to triclinic, space group P{\=1} with a = 6.6600(13), b = 8.4200(17), c =14.060(3) {\AA}, α = 85.61(3), β = 76.89(3), γ = 81.18(3)°, Z = 2, Dc = 1.298 g/cm 3, μ = 0.090mm-1, F(000) = 312, R = 0.048 and wR = 0.1231. X-ray analysis revealed that there exist a large conjugation system in the pyrazole ring, a stable enol form and intermolecular hydrogen bonding as well as network structure in the crystal.",

keywords = "3-hydroxypyrazole, Crystal structure, Pyrzolidinone, Synthesis, Thermal property",

author = "Ji Ma and Zhu, {Hong Jun} and Wei, {Chang Mei} and Song, {Guang Liang} and Wang, {Jin Tang}",

year = "2004",

language = "英语",

volume = "23",

pages = "1312--1315",

journal = "Jiegou Huaxue",

issn = "0254-5861",

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

number = "11",

}

TY - JOUR

T1 - Synthesis and crystal structure of 5-(3,4-dimethoxyphenyl)-1-phenyl-3- hydroxypyrazole

AU - Ma, Ji

AU - Zhu, Hong Jun

AU - Wei, Chang Mei

AU - Song, Guang Liang

AU - Wang, Jin Tang

PY - 2004

Y1 - 2004

N2 - The title compound (C17H16N2O3) has been prepared by the oxidation of 1,5-diarylpyrzolidin-3-one with oxygen in the presence of FeCl3, and its structure was characterized by elemental analysis, IR, 1H NMR and X-ray single-crystal diffraction analysis. The crystal belongs to triclinic, space group P1̄ with a = 6.6600(13), b = 8.4200(17), c =14.060(3) Å, α = 85.61(3), β = 76.89(3), γ = 81.18(3)°, Z = 2, Dc = 1.298 g/cm 3, μ = 0.090mm-1, F(000) = 312, R = 0.048 and wR = 0.1231. X-ray analysis revealed that there exist a large conjugation system in the pyrazole ring, a stable enol form and intermolecular hydrogen bonding as well as network structure in the crystal.

AB - The title compound (C17H16N2O3) has been prepared by the oxidation of 1,5-diarylpyrzolidin-3-one with oxygen in the presence of FeCl3, and its structure was characterized by elemental analysis, IR, 1H NMR and X-ray single-crystal diffraction analysis. The crystal belongs to triclinic, space group P1̄ with a = 6.6600(13), b = 8.4200(17), c =14.060(3) Å, α = 85.61(3), β = 76.89(3), γ = 81.18(3)°, Z = 2, Dc = 1.298 g/cm 3, μ = 0.090mm-1, F(000) = 312, R = 0.048 and wR = 0.1231. X-ray analysis revealed that there exist a large conjugation system in the pyrazole ring, a stable enol form and intermolecular hydrogen bonding as well as network structure in the crystal.

KW - 3-hydroxypyrazole

KW - Crystal structure

KW - Pyrzolidinone

KW - Synthesis

KW - Thermal property

UR - http://www.scopus.com/inward/record.url?scp=10944263151&partnerID=8YFLogxK

M3 - 文章

AN - SCOPUS:10944263151

SN - 0254-5861

VL - 23

SP - 1312

EP - 1315

JO - Jiegou Huaxue

JF - Jiegou Huaxue

IS - 11

ER -

Synthesis and crystal structure of 5-(3,4-dimethoxyphenyl)-1-phenyl-3- hydroxypyrazole

Abstract

Keywords

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