heptyl pivalate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: heptyl pivalate
• 英文别名: Propanoic acid, 2,2-dimethyl-, heptyl ester；heptyl 2,2-dimethylpropanoate
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: VJQPQMJCZDBCEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  特戊醛 在 4-二甲氨基吡啶 、 1,3-二溴-1,3,5-三嗪-2,4,6-三酮 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.33h， 生成 heptyl pivalate
  参考文献：
  名称：

  在温和的条件下，使用二溴异氰尿酸进行醛的需氧氧化酯化和硫代酯化反应：无需金属催化剂†

  摘要：

  描述了一种从醛直接制备酯和硫代酯的实用直接方法。通过原位产生的酰基溴中间体通过氧化酯化和硫酯化反应合成酯和硫代酯，这些中间体可与各种醇和硫醇反应。酯化和硫代酯化反应很容易在二氯甲烷中存在二溴异氰尿酸的情况下进行，无需任何金属催化剂，并且在温和的条件下进行。通过使用该反应方案，可以高收率制备各种酯和硫代酯。这种有效的方法为醛的简便酯化和硫酯化提供了一种有希望的方法。

  DOI：

  10.1039/c8nj01085d

文献信息

• PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032229A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a pyridine ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, R 1 R 2 N—, hydroxy, or unsubstituted or substituted aryl; Y is independently selected from hydrogen, halogen, cyano, nitro, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; r is an integer from 0 to 4, m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, alkenyl, alkynyl, and cycloalkyl, etc.; R 1 , R 2 , R 3 are each independently hydrogen, nitro, or hydroxy, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.
• Aerobic oxidative esterification and thioesterification of aldehydes using dibromoisocyanuric acid under mild conditions: no metal catalysts required
  作者：Young-Do Kwon、Minh Thanh La、Hee-Kwon Kim

  DOI：10.1039/c8nj01085d

  日期：——

  thioesters were synthesized by oxidative esterification and thioesterification via in situ generated acyl bromide intermediates, which were used to react with various alcohols and thiols. The esterification and thioesterification were readily performed in the presence of dibromoisocyanuric acid in dichloromethane, without any metal catalysts and under mild conditions. By using this reaction protocol

  描述了一种从醛直接制备酯和硫代酯的实用直接方法。通过原位产生的酰基溴中间体通过氧化酯化和硫酯化反应合成酯和硫代酯，这些中间体可与各种醇和硫醇反应。酯化和硫代酯化反应很容易在二氯甲烷中存在二溴异氰尿酸的情况下进行，无需任何金属催化剂，并且在温和的条件下进行。通过使用该反应方案，可以高收率制备各种酯和硫代酯。这种有效的方法为醛的简便酯化和硫酯化提供了一种有希望的方法。