tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate | 280110-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
• 英文别名: t-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate；tertiary butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate；4-(5-methyl-[1,2,4]oxadiazol-3-yl)-piperidine-1-carboxylic acid tert-butyl ester
• CAS: 280110-66-9
• 化学式: C₁₃H₂₁N₃O₃
• mdl: MFCD18073085
• 分子量: 267.328
• InChiKey: AXLIHKYWQVFFAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.769
• 拓扑面积：
  68.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以84%的产率得到4-(5-甲基-1,2,4-噁二唑-3-基)-哌啶盐酸盐
  参考文献：
  名称：

  環状アミン化合物および有害生物防除剤

  摘要：

  这是一段关于环状胺化合物的专利描述，提供具有杀虫活性和/或杀螨活性、安全性优良且可以工业化合成的环状胺化合物，以及包含其作为有效成分的有害生物防治剂的方法。化合物的结构如下：（I）其中Q为卤素等；R1为氰基等；R2为H、卤素等；R3为卤素、C1-6烷基等；A为O或S；p1和p2为0或1；X1为卤素、C1-6烷氧基等；m为0-4的整数；X2为H、卤素基等；Y为C6-10芳基等；X1和X2可以形成氧甲氧基。

  公开号：

  JP2019085371A
• 作为产物：
  描述：

  N-Boc-4-氰基哌啶 在 盐酸羟胺 、 sodium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT

  摘要：

  一种由化学式(I)表示的化合物，或其盐：其中Ar1是取代或未取代的C6-10芳基基团等；可以取代Ar1上的X1基团的数量为5个或更少；X1是卤素基团、取代或未取代的C1-6烷基基团等；Z是单键、硫原子或氧原子；A是氮原子或碳原子；X2是卤素基团、取代或未取代的C1-6烷基基团等；当A是氮原子时，m是0到2的整数，当A是碳原子时，m是0到3的整数；R1至R4和R6至R9各自独立地代表氢原子、取代或未取代的C1-6烷基基团等；R5是氢原子、取代或未取代的C1-6烷基基团等；k表示括号中的CR6R7基团的数量，为0或1；h表示括号中的CR3R4基团的数量，为0或1；Ar是取代或未取代的C6-10芳基基团等。

  公开号：

  US20190191702A1

文献信息

• [EN] CHEMOKING RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE CHIMIOKINES
  申请人：ABBOTT LAB

  公开号：WO2013010453A1

  公开（公告）日：2013-01-24

  Disclosed herein are chemokine receptor antagonists of formula (I) wherein G1, X1, X2, and X3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文揭示了化学受体拮抗剂的化学式(I)，其中G1、X1、X2和X3如规范中所定义。还描述了包含这种化合物的组合物；以及使用这种化合物和组合物治疗疾病和疾病的方法。
• CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT
  申请人：Nippon Soda Co.,Ltd.

  公开号：US20190191702A1

  公开（公告）日：2019-06-27

  A compound represented by a formula (I), or a salt thereof: wherein Ar 1 is a substituted or unsubstituted C 6-10 aryl group, or the like; the number of X 1 groups that can be substituted on Ar 1 is 5 or less; X 1 is a halogeno group, a substituted or unsubstituted C 1-6 alkyl group, or the like; Z is a single bond, a sulfur atom, or an oxygen atom; A is a nitrogen atom or a carbon atom; X 2 is a halogeno group, a substituted or unsubstituted C 1-6 alkyl group, or the like; m is an integer of 0 to 2 when A is a nitrogen atom and is an integer of 0 to 3 when A is a carbon atom; R 1 to R 4 and R 6 to R 9 each independently represent a hydrogen atom, a substituted or unsubstituted C 1-6 alkyl group, or the like; R 5 is a hydrogen atom, a substituted or unsubstituted C 1-6 alkyl group, or the like; k represents the number of CR 6 R 7 moieties in a parenthesis and is 0 or 1; h represents the number of CR 3 R 4 moieties in a parenthesis and is 0 or 1; and Ar is a substituted or unsubstituted C 6-10 aryl group, or the like.

  一种由化学式(I)表示的化合物，或其盐：其中Ar1是取代或未取代的C6-10芳基基团等；可以取代Ar1上的X1基团的数量为5个或更少；X1是卤素基团、取代或未取代的C1-6烷基基团等；Z是单键、硫原子或氧原子；A是氮原子或碳原子；X2是卤素基团、取代或未取代的C1-6烷基基团等；当A是氮原子时，m是0到2的整数，当A是碳原子时，m是0到3的整数；R1至R4和R6至R9各自独立地代表氢原子、取代或未取代的C1-6烷基基团等；R5是氢原子、取代或未取代的C1-6烷基基团等；k表示括号中的CR6R7基团的数量，为0或1；h表示括号中的CR3R4基团的数量，为0或1；Ar是取代或未取代的C6-10芳基基团等。
• PTSA−ZnCl₂: An Efficient Catalyst for the Synthesis of 1,2,4-Oxadiazoles from Amidoximes and Organic Nitriles
  作者：John Kallikat Augustine、Vani Akabote、Shrivatsa Ganapati Hegde、Padma Alagarsamy

  DOI：10.1021/jo900818h

  日期：2009.8.7

  PTSA-ZnCl2 has been proved to be an efficient and mild catalyst for the synthesis of 3,5-disubstituted-1,2,4-oxadiazoles from amidoximes and organic nitriles.

  事实证明，PTSA-ZnCl 2是一种高效，温和的催化剂，用于由a肟和有机腈合成3,5-二取代-1,2,4-恶二唑。
• CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE
  申请人：Ozawa Michinori

  公开号：US20100179118A1

  公开（公告）日：2010-07-15

  The present invention relates to a compound represented by the following formula (I), which is useful as an antiallergic agent and/or an anti-inflammatory agent, or a physiologically acceptable salt thereof and the like: wherein R 1 and R 2 are the same or different and each is an optionally substituted aryl group and the like, R 3 is a hydrogen atom, a C 1-6 alkyl group and the like, R 4 and R 5 are the same or different and each is a hydrogen atom, a halogen atom, a hydroxy group, a C 1-6 alkyl group and the like, X is a single bond or —C(R 6 )(R 7 )—, R 6 and R 7 are the same or different and each is a hydrogen atom, a halogen atom, an optionally substituted C 1-6 alkyl group and the like, or R 6 and R 7 optionally form, together with the carbon atom bonded thereto, an optionally substituted C 3-8 cycloalkyl group and the like, ring group A is an azetidin-1-yl group and the like, m is 0, 1 or 2, and n is 0, 1 or 2.

  本发明涉及以下式（I）所表示的化合物或其生理上可接受的盐等，其可用作抗过敏剂和/或抗炎剂： 其中，R1和R2相同或不同，每个都是可选取的取代芳基基团等；R3是氢原子、C1-6烷基基团等；R4和R5相同或不同，每个都是氢原子、卤原子、羟基、C1-6烷基基团等；X是单键或—C(R6)(R7)—；R6和R7相同或不同，每个都是氢原子、卤原子、可选取的取代C1-6烷基基团等，或R6和R7可选择性地与与其相连的碳原子一起形成可选取的取代C3-8环烷基团等；环基团A是氮杂环丙烷基团等；m为0、1或2；n为0、1或2。
• RING-SHAPED AMINE COMPOUND AND PEST CONTROL AGENT
  申请人：NIPPON SODA CO., LTD.

  公开号：EP3456716A1

  公开（公告）日：2019-03-20

  A compound represented by a formula (I), or a salt thereof: wherein Ar1 is a substituted or unsubstituted C6-10 aryl group, or the like; the number of X1 groups that can be substituted on Ar1 is 5 or less; X1 is a halogeno group, a substituted or unsubstituted C1-6 alkyl group, or the like; Z is a single bond, a sulfur atom, or an oxygen atom; A is a nitrogen atom or a carbon atom; X2 is a halogeno group, a substituted or unsubstituted C1-6 alkyl group, or the like; m is an integer of 0 to 2 when A is a nitrogen atom and is an integer of 0 to 3 when A is a carbon atom; R1 to R4 and R6 to R9 each independently represent a hydrogen atom, a substituted or unsubstituted C1-6 alkyl group, or the like; R5 is a hydrogen atom, a substituted or unsubstituted C1-6 alkyl group, or the like; k represents the number of CR6R7 moieties in a parenthesis and is 0 or 1; h represents the number of CR3R4 moieties in a parenthesis and is 0 or 1; and Ar is a substituted or unsubstituted C6-10 aryl group, or the like.

  由式 (I) 代表的化合物或其盐： 其中 Ar1 是取代或未取代的 C6-10 芳基或类似物；Ar1 上可被取代的 X1 基团数为 5 或更少；X1 是卤代基团、取代或未取代的 C1-6 烷基或类似物；Z 是单键、硫原子或氧原子；A 是氮原子或碳原子；X2 是卤代基团、取代或未取代的 C1-6 烷基或类似基团；当 A 是氮原子时，m 是 0 至 2 的整数，当 A 是碳原子时，m 是 0 至 3 的整数；R1 至 R4 和 R6 至 R9 各自独立地代表氢原子、取代或未取代的 C1-6 烷基或类似基团；R5 是氢原子、取代或未取代的 C1-6 烷基或类似基团；k 代表括号中 CR6R7 分子的数目，为 0 或 1；h 代表括号中 CR3R4 分子的数目，为 0 或 1；Ar 是取代或未取代的 C6-10 芳基或类似基团。