4-Chlor-2,3,5,6-tetramethyl-pyridin-1-oxid | 100707-69-5

• 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
• 英文名称: 4-Chlor-2,3,5,6-tetramethyl-pyridin-1-oxid
• 英文别名: 4-Chloro-2,3,5,6-tetramethyl-1-oxidopyridin-1-ium
• CAS: 100707-69-5
• 化学式: C₉H₁₂ClNO
• 分子量: 185.653
• InChiKey: KYTHSNPJJKNSHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  25.5
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Preparation of substituted pyridine N-oxide compounds
  申请人：——

  公开号：US20040063957A1

  公开（公告）日：2004-04-01

  A process for preparing substituted pyridine N-oxide compounds of the formula 1 in which R1, R2, R3 and R4 are each H, a carboxyl group or a C 1 -C 12 -alkyl radical which may contain atoms from the group of N, O and S, or R1 and R2 and/or R3 and R4 together may each form an optionally substituted C 4 -C 20 -alkylene radical which may contain atoms from the group of N, O and S, A is benzyl or a (CH 2 ) m group where m may be an integer from 1 to 12, Z 1 and Z 2 are each independently O or S, and Y is H, a C 1 -C 12 -alkyl radical which may optionally contain atoms from the group of N, O and S, a C 6 -C 20 -aryl radical or a C 5 -C 20 -heterocycle, and the radicals may optionally be substituted, or Z 2 and Y together form an optionally substituted ring or ring system, in which case the ring or ring system may contain atoms from the group of N, O and S, from the corresponding 4-halopyridine N-oxide of the formula 2 in which X is chlorine, bromine or iodine, by reacting the compound of the formula (II), in the presence of a phase transfer catalyst and of a base, with a compound of the formula HZ 1 -A-Z 2 -Y  (III) in which Z 1 , Z 2 , A and Y are each as defined above, at a temperature up to the reflux temperature, to give the corresponding substituted pyridine N-oxide compound of the formula (I), and also a process for preparing the compound of the formula (II).

  一种制备取代吡啶N-氧化物化合物的方法，该化合物的公式为1，其中R1、R2、R3和R4分别为H、羧基或可能含有N、O和S的C1-C12烷基基团，或者R1和R2和/或R3和R4可以共同形成一个可选取代的C4-C20烷基基团，该基团可能含有N、O和S的原子，A为苄基或(CH2)m基团，其中m可以是1到12的整数，Z1和Z2各自独立地为O或S，Y为H、C1-C12烷基基团，该基团可以选择地含有N、O和S的原子，C6-C20芳基基团或C5-C20杂环，且基团可以选择性地被取代，或者Z2和Y共同形成一个可选择性取代的环或环系统，此时该环或环系统可以含有N、O和S的原子，从公式2中相应的4-卤代吡啶N-氧化物开始，其中X为氯、溴或碘，通过在相转移催化剂和碱存在下，将公式（II）的化合物与公式HZ1-A-Z2-Y（III）的化合物在回流温度以下的温度下反应，从而得到公式（I）的相应取代吡啶N-氧化物化合物，以及制备公式（II）的化合物的方法。
• US6806371B2
  申请人：——

  公开号：US6806371B2

  公开（公告）日：2004-10-19