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5-（4-氯苯基）-1-甲基-3-苯基-3,6,8,9-四氢-吡唑并[3,4-b]硫代吡喃并[4,3-d]吡啶

5-(4-Chloro-phen-yl)-1-methyl-3-phenyl-3,6,8,9-tetra-hydro-pyrazolo-[3,4-b]thio-pyrano[4,3-d]pyridine.

作者信息

Jia Runhong, Peng Juhua

机构信息

Lianyungang Teacher's College, Lianyungang 222006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2421-2. doi: 10.1107/S1600536811033514. Epub 2011 Aug 27.

DOI:10.1107/S1600536811033514
PMID:22059005
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200927/
Abstract

The title compound, C(22)H(18)ClN(3)S, was synthesized by the reaction of 4-chloro-benzaldehyde, tetra-hydro-thio-pyran-4-one and 3-methyl-1-phenyl-1H-pyrazol-5-amine in acetic acid without a catalyst. The pyridine and pyrazole rings are almost coplanar, the dihedral angle between their mean planes being 2.50 (1)°. The thio-pyran ring exhibits an envelope conformation. The crystal packing is stabilized by inter-molecular C-H⋯Cl hydrogen bonds and by C-H⋯π and π-π inter-actions [centroid-centroid distances of 3.825 (2) Å between pyridine rings and 3.557 (2) Å between pyrazole and pyridine rings.

摘要

标题化合物C(22)H(18)ClN(3)S是通过4-氯苯甲醛、四氢硫代吡喃-4-酮和3-甲基-1-苯基-1H-吡唑-5-胺在无催化剂的乙酸中反应合成的。吡啶环和吡唑环几乎共面，它们平均平面之间的二面角为2.50 (1)°。硫代吡喃环呈信封式构象。晶体堆积通过分子间C-H⋯Cl氢键以及C-H⋯π和π-π相互作用得以稳定[吡啶环之间的质心-质心距离为3.825 (2) Å，吡唑环与吡啶环之间的质心-质心距离为3.557 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/065b/3200927/f2742aa7ef8b/e-67-o2421-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/065b/3200927/aae1725781ce/e-67-o2421-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/065b/3200927/f2742aa7ef8b/e-67-o2421-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/065b/3200927/aae1725781ce/e-67-o2421-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/065b/3200927/f2742aa7ef8b/e-67-o2421-fig2.jpg

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本文引用的文献

1
An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening.通过吲哚环开环反应高效一步合成杂双芳基吡唑并[3,4-b]吡啶。
Org Lett. 2009 Nov 19;11(22):5214-7. doi: 10.1021/ol902147u.
2
Expedient synthesis of 3-alkoxymethyl- and 3-aminomethyl-pyrazolo[3,4-b]pyridines.3-烷氧基甲基-和3-氨基甲基-吡唑并[3,4-b]吡啶的简便合成
J Org Chem. 2009 Jan 16;74(2):789-94. doi: 10.1021/jo802363q.
3
Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.吡唑并吡啶作为一类新型结构的强效和选择性磷酸二酯酶4（PDE4）抑制剂。
Bioorg Med Chem Lett. 2008 Jul 15;18(14):4237-41. doi: 10.1016/j.bmcl.2008.05.052. Epub 2008 May 17.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
5
One-pot, multicomponent route to pyrazoloquinolizinones.一锅法多组分合成吡唑并喹嗪酮的路线。
Org Lett. 2007 Apr 26;9(9):1691-4. doi: 10.1021/ol070411l. Epub 2007 Mar 27.
6
Synthesis and 3D QSAR of new pyrazolo[3,4-b]pyridines: potent and selective inhibitors of A1 adenosine receptors.
J Med Chem. 2005 Nov 17;48(23):7172-85. doi: 10.1021/jm050407k.
7
Pyrazoloheteroaryls: novel p38alpha MAP kinase inhibiting scaffolds with oral activity.吡唑并杂芳基：具有口服活性的新型p38α丝裂原活化蛋白激酶抑制骨架。
Bioorg Med Chem Lett. 2006 Jan 15;16(2):262-6. doi: 10.1016/j.bmcl.2005.10.015. Epub 2005 Oct 24.
8
6-aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3).6-芳基吡唑并[3,4-b]吡啶：糖原合酶激酶-3（GSK-3）的强效抑制剂。
Bioorg Med Chem Lett. 2003 Sep 15;13(18):3055-7. doi: 10.1016/s0960-894x(03)00645-0.
9
Enhancement of benzodiazepine and GABA binding by the novel anxiolytic, tracazolate.
Eur J Pharmacol. 1982 Mar 12;78(3):315-22. doi: 10.1016/0014-2999(82)90033-4.