3-苯甲酰基哌啶盐酸盐 | 5562-52-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-苯甲酰基哌啶盐酸盐
• 中文别名: 苯基-3-哌啶基甲酮盐酸盐；苯基-3-哌啶基甲酮
• 英文名称: 3-benzoylpiperidin-1-ium chloride
• 英文别名: 3-benzoylpiperidine hydrochloride；3-Benzoylpiperidine hcl；phenyl(piperidin-3-yl)methanone;hydrochloride
• CAS: 5562-52-7
• 化学式: C₁₂H₁₅NO*ClH
• 分子量: 225.718
• InChiKey: MNODEQCNDLADAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-苯甲酰基哌啶盐酸盐 在 甲醇 、 sodium tetrahydroborate 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 [3-[Hydroxy(phenyl)methyl]piperidin-1-yl]-phenylmethanone
  参考文献：
  名称：

  [EN] ARYL-PIPERIDINE DERIVATIVES
  [FR] DÉRIVÉS D'ARYL-PIPÉRIDINE

  摘要：

  一种化学式I的芳基哌啶衍生物，其中R3、X、Cz和Cy的含义如描述中所指定，用作T细胞的抑制剂。

  公开号：

  WO2018170078A1
• 作为产物：
  描述：

  1-BOC-哌啶-3-羧酸 在 盐酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成 3-苯甲酰基哌啶盐酸盐
  参考文献：
  名称：

  [EN] ARYL-PIPERIDINE DERIVATIVES
  [FR] DÉRIVÉS D'ARYL-PIPÉRIDINE

  摘要：

  一种化学式I的芳基哌啶衍生物，其中R3、X、Cz和Cy的含义如描述中所指定，用作T细胞的抑制剂。

  公开号：

  WO2018170078A1

文献信息

• HMPA-Catalyzed Transfer Hydrogenation of 3-Carbonyl Pyridines and Other N-Heteroarenes with Trichlorosilane
  作者：Yun Fu、Jian Sun

  DOI：10.3390/molecules24030401

  日期：——

  A method for the HMPA (hexamethylphosphoric triamide)-catalyzed metal-free transfer hydrogenation of pyridines has been developed. The functional group tolerance of the existing reaction conditions provides easy access to various piperidines with ester or ketone groups at the C-3 site. The suitability of this method for the reduction of other N-heteroarenes has also been demonstrated. Thirty-three examples of different substrates have been reduced to designed products with 45–96% yields.

  已经开发出一种六甲基磷酰三胺（HMPA）催化的无金属转移氢化吡啶的方法。现有反应条件下的官能团耐受性使得容易获得C-3位点带有酯基或酮基的各种哌啶。还证明了这种方法适用于还原其他N-杂芳烃。已经有33个不同底物的例子被还原为设计的产品，产率为45-96%。

• N-substituted alpha-arylazacycloalkylmethanamines and their use as
  申请人：A. H. Robins Company Incorporated

  公开号：US05198449A1

  公开（公告）日：1993-03-30

  Novel compounds of the formula below wherein W is azetidine, pyrrolidine or piperidine, Q is a straight chain hydrocarbon radical of 1-4 carbons and may contain a double bond, and ##STR1## Ar is phenyl, pyridinyl or pyrimidinyl, a process for their preparation, and novel intermediates are disclosed. The novel compounds and the pharmaceutical compositions of this invention are useful in the treatment of hypertension, arrhythmias and angina.

  以下是该公式的新化合物，其中W为氮杂环丙烷、吡咯烷或哌嗪，Q为含有1-4个碳原子的直链烃基，可能含有双键，Ar为苯基、吡啶基或嘧啶基。公开了它们的制备方法和新型中间体。该发明的新化合物和药物组合物在治疗高血压、心律失常和心绞痛方面具有用途。
• 3-Substituted-4-pyrimidone derivatives
  申请人：Uehara Fumiaki

  公开号：US20050090490A1

  公开（公告）日：2005-04-28

  a pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof having inhibitory activity against tau protein kinase 1: wherein R 1 represents a C 1 -C 12 alkyl group which may be substituted; R represents, for example, a group represented by the following formula (II): wherein R 2 and R 3 independently represent a hydrogen atom or a C 1 -C 8 alkyl group; R 4 represents a benzene ring which may be substituted, a naphthalene ring which may be substituted, an indan ring which may be substituted, a tetrahydronaphthalene ring which may be substituted, or an optionally substituted heterocyclic ring having 1 to 4 heteno atoms selected from the group consisting of oxygen atom, sulfur atom and nitrogen atom, and having 5 to 10 ring-constituting atoms in total.

  一种以公式（I）表示的吡啶酮衍生物或其盐，或其溶剂或水合物，具有对tau蛋白激酶1的抑制活性：其中R1代表可以被取代的C1-C12烷基；R代表例如以下公式（II）所表示的基团：其中R2和R3独立地表示氢原子或C1-C8烷基；R4表示可以被取代的苯环，可以被取代的萘环，可以被取代的茚环，可以被取代的四氢萘环，或者是选择自氧原子、硫原子和氮原子组成的1至4个杂原子的可选取代杂环，总共具有5到10个构成环的原子。
• Alkoxy-substituted-6-chloro-quinazoline-2,4-diones
  申请人：Pfizer Inc.

  公开号：US04287341A1

  公开（公告）日：1981-09-01

  2,4-Diaminoquinazolines of the formula ##STR1## wherein Y.sup.1 is hydrogen or chloro, Y.sup.2 is OR, Y.sup.3 is hydrogen or OR such that when Y.sup.1 is hydrogen, Y.sup.3 is OR and when Y.sup.1 is chloro, Y.sup.3 is hydrogen or OR, and the pharmaceutically acceptable salts thereof; R represents an alkyl group having from one to three carbon atoms; taken separately, R.sup.1 and R.sup.2 are each hydrogen, alkyl having from one to five carbon atoms, cycloalkyl having from three to eight carbon atoms, alkenyl or alkynyl each having from three to five carbon atoms or hydroxy substituted alkyl having from two to five carbon atoms, when taken together with the nitrogen atom to which they are attached R.sup.1 and R.sup.2 form a substituted or unsubstituted heterocyclic group optionally containing an atom of oxygen, sulfur or a second atom of nitrogen as a ring member; their use as antihypertensive agents, pharmaceutical compositions containing them and intermediates for their production.

  式为##STR1##的2,4-二氨基喹嗪，其中Y.sup.1是氢或氯，Y.sup.2是OR，Y.sup.3是氢或OR，当Y.sup.1为氢时，Y.sup.3为OR，当Y.sup.1为氯时，Y.sup.3为氢或OR，以及其药学上可接受的盐；R代表具有1至3个碳原子的烷基；R.sup.1和R.sup.2分别为氢、具有1至5个碳原子的烷基、具有3至8个碳原子的环烷基、具有3至5个碳原子的烯基或炔基或具有2至5个碳原子的羟基取代的烷基，当它们与它们附着的氮原子一起取代时，R.sup.1和R.sup.2形成一个取代或未取代的杂环基，该杂环基可选地包含氧、硫或第二个氮原子作为环成员；它们作为降压药的用途，包含它们的制药组合物以及其制备的中间体。
• Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines
  申请人：Pfizer Inc.

  公开号：US04351940A1

  公开（公告）日：1982-09-28

  2,4-Diaminoquinazolines of the formula ##STR1## wherein Y.sup.1 is hydrogen or chloro, Y.sup.2 is OR, Y.sup.3 is hydrogen or OR such that when Y.sup.1 is hydrogen, Y.sup.3 is OR and when Y.sup.1 is chloro, Y.sup.3 is hydrogen or OR, and the pharmaceutically acceptable salts thereof; R represents an alkyl group having from one to three carbon atoms; taken separately, R.sup.1 and R.sup.2 are each hydrogen, alkyl having from one to five carbon atoms, cycloalkyl having from three to eight carbon atoms, alkenyl or alkynyl each having from three to five carbon atoms or hydroxy substituted alkyl having from two to five carbon atoms, when taken together with the nitrogen atom to which they are attached R.sup.1 and R.sup.2 form a substituted or unsubstituted heterocyclic group optionally containing an atom of oxygen, sulfur or a second atom of nitrogen as a ring member; their use as antihypertensive agents, pharmaceutical compositions containing them and intermediates for their production.

  公式为 ##STR1## 的2,4-二氨基喹嗪，其中Y1为氢或氯，Y2为OR，Y3为氢或OR，当Y1为氢时，Y3为OR，当Y1为氯时，Y3为氢或OR，以及其药学上可接受的盐；R代表具有1至3个碳原子的烷基；分别取R1和R2为氢、具有1至5个碳原子的烷基、具有3至8个碳原子的环烷基、具有3至5个碳原子的烯基或炔基或具有2至5个碳原子的羟基取代的烷基，当它们与它们所连接的氮原子一起取用时，R1和R2形成一个取代或未取代的杂环基，可选地含有一个氧原子、硫原子或第二个氮原子作为环成员；它们作为降压剂的用途，包含它们的制药组合物和它们制备的中间体。