异烟酸正丁酯 | 13841-66-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 异烟酸正丁酯
• 英文名称: butyl isonicotinate
• 英文别名: n-butyl isonicotinate；isonicotinic acid butyl ester；butyl pyridine-4-carboxylate
• CAS: 13841-66-2
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: UMQFMEMKBWWILL-UHFFFAOYSA-N

物化性质

• 保留指数：
  1371

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  异烟酸正丁酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以74.1%的产率得到异烟肼
  参考文献：
  名称：

  Synthesis and structures of 1,2,4-triazoles derivatives

  摘要：

  A series of novel 1,2,4-triazole derivatives were synthesized, and their structures were characterized by IR, UV-Vis, FL, NMR, ESI-MS, and elemental analysis. In the meanwhile, the single crystal structures of 3,4-diethyl-5-(4-pyridyl)-1,2,4-triazole and 3,4-dimethyl-5-(o-hydroxyphenyl)-1,2,4-triazole were determined by X-ray diffraction.

  DOI：

  10.1134/s1070363215030330
• 作为产物：
  描述：

  异烟酸 生成 异烟酸正丁酯
  参考文献：
  名称：

  NICOLAU, M.;ROMAN, I.;PANCULESCU, P.;DUMITRESCU, G.;OANA, I.;DINCA, P.;HA+

  摘要：

  DOI：

文献信息

• Dinuclear manganese alkoxide complexes as catalysts for C–N bond cleavage of simple tertiary <i>N</i>,<i>N</i>-dialkylamides to give esters
  作者：Haruki Nagae、Takahiro Hirai、Daiki Kato、Shusei Soma、Shin-ya Akebi、Kazushi Mashima

  DOI：10.1039/c8sc05819a

  日期：——

  give corresponding esters using a catalyst system (2 mol% based on Mn atoms) of a tetranuclear manganese alkoxide, [Mn(acac)(OEt)(EtOH)]4 (1c), combined with four equivalents of 4,7-bis(dimethylamino)-1,10-phenanthroline (L1: Me2N-Phen). Regarding the reaction mechanism, we isolated a dinuclear manganese complex, [Mn(acac)(OEt)(Phen)]2 (6c), which was revealed as the catalytically active species for

  由于氮孤对和羰基部分之间的共振，酰胺键是稳定的，因此涉及C-N键裂变的酰胺，特别是叔酰胺的化学转化被认为是最困难的有机反应之一，不可避免地需要苛刻的反应条件和强酸或强碱。我们报道了使用四核锰醇盐 [Mn(acac)(OEt)(EtOH) 的催化剂系统（基于 Mn 原子的 2 mol%）催化简单叔 N , N -二烷基酰胺的 C-N 键断裂，得到相应的酯)] 4 ( 1c )，与四当量的 4,7-双(二甲氨基)-1,10-菲咯啉 ( L1 : Me 2 N-Phen) 组合。关于反应机理，我们分离出一种双核锰配合物[Mn(acac)(OEt)(Phen)] 2 ( 6c )，它被认为是叔酰胺酯化反应的催化活性物质。
• Polyurea-encapsulated palladium(ii) acetate: a robust and recyclable catalyst for use in conventional and supercritical mediaElectronic supplementary information (ESI) available: representative experimental procedures. See http://www.rsc.org/suppdata/cc/b2/b200677b/
  作者：Steven V. Ley、Chandrashekar Ramarao、Richard S. Gordon、Andrew B. Holmes、Angus J. Morrison、Ian. F. McConvey、Ian M. Shirley、Stephen C. Smith、Martin D. Smith

  DOI：10.1039/b200677b

  日期：2002.5.9

  Palladium(II) acetate microencapsulated in polyurea (MC-[Pd]) is an economical and versatile heterogeneous catalyst for a range of phosphine-free cross-coupling reactions in both conventional solvents and supercritical carbon dioxide (scCO2); the catalyst can be recovered by a simple filtration and recycled up to four times.

  微囊化在聚脲中的醋酸钯（MC-[Pd]）是一种经济且多用途的非均相催化剂，适用于一系列无需膦的传统溶剂和超临界二氧化碳（scCO₂）中的交叉偶联反应；该催化剂可通过简单过滤回收并循环使用多达四次。
• Fully reversible guest exchange in tetraphosphonate cavitand complexes probed by fluorescence spectroscopy
  作者：Elisa Biavardi、Gionata Battistini、Marco Montalti、Roger M. Yebeutchou、Luca Prodi、Enrico Dalcanale

  DOI：10.1039/b801729h

  日期：——

  We report here the monitoring of reversible guest inclusion in phosphonate cavitands through a large increase in luminescence intensity caused by the modulation of the exoergonicity of an electron-transfer reaction.

  我们在这里报告通过大幅度增加由电子转移反应的外能性的调节引起的发光强度的增加来监测膦酸盐空洞中可逆的客体包裹体的情况。
• A new photochemical approach to benzylic polyradicals through CN bond cleavage of a pyridinyl radical
  作者：Hiroki Mori、Masatoshi Kozaki、Kazunobu Sato、Takeji Takui、Keiji Okada

  DOI：10.1016/s0040-4039(98)01339-2

  日期：1998.8

  A new photochemical method for the generation of benzylic poly-radicals was developed using Ikegami's CN bond cleavage reaction of a pyridinyl radical. The generation of m-xylylene and 1,8-naphthoquinodimethane was exemplified.

  利用池上的吡啶基的CN键裂解反应，开发了一种新的光化学方法，用于生成苄基多自由基。的生成米-xylylene和1,8-二naphthoquinodimethane被举例说明。
• Process for preparing polyolefins
  申请人：Nippon Petrochemicals Co., Ltd.

  公开号：EP0267794A2

  公开（公告）日：1988-05-18

  A process for preparing a polyolefin by homopolymerizing or copolymerizing an olefin or olefins using a catalyst comprising a solid catalyst component and an organometallic compound, said solid catalyst component being obtained by contacting at least a titanium compound and/or a vanadium compound with a solid material (a), said solid material (a) being obtained by contacting the following components (1), (2) and (3) with one another: (1) a silicon oxide and/or an aluminum oxide, (2) a magnesium halide, and (3) an organometallic compound.

  一种使用由固体催化剂组分和有机金属化合物组成的催化剂，通过均聚或共聚一种或多种烯烃制备聚烯烃的工艺，所述固体催化剂组分通过将至少一种钛化合物和/或钒化合物与固体材料（a）接触而获得，所述固体材料（a）通过将以下组分（1）、（2）和（3）相互接触而获得：（1）氧化硅和/或氧化铝，（2）卤化镁，和（3）有机金属化合物。

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