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1-[5-(3,5-二甲氧基苯基)-3-(2-甲氧基苯基)-4,5-二氢-1-吡唑-1-基]乙酮

1-[5-(3,5-Di-meth-oxy-phen-yl)-3-(2-meth-oxy-phen-yl)-4,5-di-hydro-1-pyrazol-1-yl]ethanone.

作者信息

Yoo Miri, Koh Dongsoo

机构信息

Department of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of Korea.

出版信息

IUCrdata. 2021 Jan 29;6(Pt 1):x210096. doi: 10.1107/S2414314621000961. eCollection 2021 Jan.

DOI:10.1107/S2414314621000961
PMID:36340475
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462267/
Abstract

In the title compound, CHNO, two benzene rings bearing meth-oxy substituents are connected by a central acetyl-pyrazoline ring: the dihedral angle between the benzene rings is 83.7 (1)°. In the crystal, pairwise C-H⋯O hydrogen bonds generate inversion dimers and additional weak C-H⋯O inter-actions link the dimers into chains propagating along the -axis direction.

摘要

在标题化合物CHNO中，两个带有甲氧基取代基的苯环通过一个中心乙酰基吡唑啉环相连：苯环之间的二面角为83.7 (1)°。在晶体中，成对的C-H⋯O氢键形成反演二聚体，额外的弱C-H⋯O相互作用将二聚体连接成沿轴方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/41de1b880f1e/x-06-x210096-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/f7eb782e73c7/x-06-x210096-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/340b3ddb6cdb/x-06-x210096-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/41de1b880f1e/x-06-x210096-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/f7eb782e73c7/x-06-x210096-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/340b3ddb6cdb/x-06-x210096-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d74d/9462267/41de1b880f1e/x-06-x210096-fig3.jpg

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Development of potential selective and reversible pyrazoline based MAO-B inhibitors as MAO-B PET tracer precursors and reference substances for the early detection of Alzheimer's disease.基于吡唑啉的潜在选择性和可逆性单胺氧化酶-B（MAO-B）抑制剂的开发，作为用于阿尔茨海默病早期检测的MAO-B正电子发射断层扫描（PET）示踪剂前体和参考物质。
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