3-acetoxy-2,2-dimethyl-propionic acid methyl ester | 81778-04-3

• 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: 3-acetoxy-2,2-dimethyl-propionic acid methyl ester
• 英文别名: 3-Acetoxy-2,2-dimethyl-propionsaeure-methylester；Acetoxy-pivalinsaeure-methylester；methyl 3-acetoxy-2,2-dimethylpropionate；Methyl 3-(acetyloxy)-2,2-dimethylpropanoate；methyl 3-acetyloxy-2,2-dimethylpropanoate
• CAS: 81778-04-3
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: ZBLQEXIZXXIQGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-acetoxy-2,2-dimethyl-propionic acid methyl ester 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.5h， 以58%的产率得到5,5-Dimethyl-dihydro-pyran-2,4-dione
  参考文献：
  名称：

  Dioxocyclohexane carboxylic acid phenyl amide derivatives for modulating voltage-gated potassium channels and pharmaceutical compositions containing the same

  摘要：

  二氧环己烷羧酸苯胺衍生物，其通式为(I)的化合物或其互变异构体或其药学上可接受的盐，以及含有这些化合物的药物组合物被提供：这些二氧环己烷羧酸苯胺衍生物可用于治疗与一个或多个Kv1.1电压门控钾通道异常调节相关的多种病症。

  公开号：

  US20060014826A1
• 作为产物：
  描述：

  2,2-二甲基-3-羟基丙酸 在 硫酸 作用下， 生成 3-acetoxy-2,2-dimethyl-propionic acid methyl ester
  参考文献：
  名称：

  Marcilly, Bulletin de la Societe Chimique de France, 1904, vol. <3>31, p. 129

  摘要：

  DOI：

文献信息

• Herbicidal 3-isoxazolidinones and hydroxamic acids
  申请人：FMC Corporation

  公开号：US04405357A1

  公开（公告）日：1983-09-20

  Novel 3-isoxazolidinone compounds and novel hydroxamic acid intermediates from which they are prepared exhibit herbicidal activity to grassy and broad-leaf plant species while leaving legumes, especially soybeans, unaffected. The preparation and herbicidal activity of the compounds is exemplified.

  新型3-异噁唑烷酮化合物和新型羟羧酸中间体表现出对禾本科和阔叶植物种类的除草活性，同时不影响豆科植物，特别是大豆。这些化合物的制备和除草活性得到了示范。
• COMPOUND, RESIN AND PHOTORESIST COMPOSITION
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160244400A1

  公开（公告）日：2016-08-25

  A compound represented by formula (I): wherein R 1 represents a hydrogen atom, a halogen atom or a C1-C6 alkyl group where a hydrogen atom can be replaced by a halogen atom, L 1 represents a C1-C8 fluorinated alkanediyl group, X 1 represents *—CO—O—, *—O—CO—, *—O—CO—O— or *—O— where * represents a binding site to L 1 , and R 2 represents a C1-C18 hydrocarbon group in which a methylene group can be replaced by an oxygen atom, a carbonyl group or a sulfonyl group and in which a hydrogen atom can be replaced by a hydroxy group, or in which two hydrogen atoms can be each replaced by an oxygen atom forming one ketal structure together with a C1-C8 alkanediyl group bonded to the oxygen atom and a hydrogen atom in said ketal structure can be replaced by a fluorine atom.

  化合物的化学式（I）表示如下： 其中，R1代表氢原子、卤素原子或C1-C6烷基，其中氢原子可以被卤素原子取代，L1代表C1-C8氟代烷二基基团，X1代表*—CO—O—、*—O—CO—、*—O—CO—O—或*—O—，其中*代表与L1结合位点，R2代表C1-C18烃基团，其中亚甲基基团可以被氧原子、羰基团或磺酰基团取代，其中氢原子可以被羟基取代，或其中两个氢原子可以分别被氧原子取代，与氧原子结合形成一个与氧原子结合的C1-C8烷二基基团一起形成一个缩醛结构，所述缩醛结构中的氢原子可以被氟原子取代。
• [EN] NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO<br/>[FR] NOUVEAUX COMPOSÉS, COMPOSITION PHARMACEUTIQUE ET PROCÉDÉS CORRESPONDANTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010149684A1

  公开（公告）日：2010-12-29

  New compounds are disclosed which have utility in the treatment of a variety of metabolic related conditions in a patient. The compounds of this invention have the structure (I): wherein R1, R2, R3, n, p, q, and Ar are as defined herein, including stereoisomers, solvates and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions comprising a compound of this invention, as well as methods relating to the use thereof in a patient in need thereof.

  本发明公开了具有结构(I)的新化合物，其在患者中治疗各种与代谢相关的病症具有实用性：其中R1、R2、R3、n、p、q和Ar如本文所定义，包括立体异构体、溶剂合物和药学上可接受的盐。还公开了包含本发明化合物的药物组合物，以及关于其在有需要的患者中使用的方法。
• SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20170247323A1

  公开（公告）日：2017-08-31

  A salt having a group represented by the formula (aa): wherein X a and X b independently each represent an oxygen atom or a sulfur atom, the ring W represents a C3-C36 heterocyclic ring which has an ester bond or a thioester bond, said heterocyclic ring optionally further having an oxygen atom, a sulfur atom, a carbonyl group or a sulfonyl group each by which a methylene group has been replaced, and said heterocycilic ring optionally having a hydroxyl group, a cyano group, a carboxyl group, a C1-C12 alkyl group, a C1-C12 alkoxy group, a C2-C13 alkoxycarbonyl group, a C2-C13 acyl group, a C2-C13 acyloxy group, a C3-C12 alicyclic hydrocarbon group, a C6-C10 aromatic hydrocarbon group or any combination of these groups each by which a hydrogen atom has been replaced, and * represents a binding position.

  一种盐，其具有由公式（aa）表示的基团：其中Xa和Xb独立地代表一个氧原子或一个硫原子，环W代表一个具有酯键或硫酯键的C3-C36杂环环，该杂环环还可以进一步具有一个氧原子、一个硫原子、一个羰基或一个磺酰基，其中每个都已被一个亚甲基取代，该杂环环还可以具有一个羟基、一个氰基、一个羧基、一个C1-C12烷基、一个C1-C12烷氧基、一个C2-C13烷氧羰基、一个C2-C13酰基、一个C2-C13酰氧基、一个C3-C12脂环烃基、一个C6-C10芳香烃基或任何组合，其中每个都已被氢原子取代，*表示一个结合位置。
• SUBSTITUTED IMIDAZOLES
  申请人：CHUBB NATHAN ANTHONY LOGAN

  公开号：US20070167506A1

  公开（公告）日：2007-07-19

  This invention relates to a range of alpha substituted 2-benzyl substituted imidazole compounds and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes for their synthesis and their use as parasiticides.

  本发明涉及一系列α取代的2-苄基取代咪唑化合物及其药用可接受盐和溶剂化合物，包括这些化合物的组合物、合成过程以及它们作为驱虫剂的用途。