thiononanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代酸
• 英文名称: thiononanoic acid
• 英文别名: Nonanethioic acid；nonanethioic S-acid
• 化学式: C₉H₁₈OS
• 分子量: 174.307
• InChiKey: XZPUTNZHTQVTHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  thiononanoic acid 在 zinc(II) chloride 作用下， 生成 tetraoctyl-2,4,6,8,9,10-hexathia-adamantane
  参考文献：
  名称：

  Fredga; Bauer, Arkiv foer Kemi, 1951, vol. 2, p. 113,116

  摘要：

  DOI：
• 作为产物：
  描述：

  壬酰氯 在 sodium hydrosulfide monohydrate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 thiononanoic acid
  参考文献：
  名称：

  通过可见光促进的原子取代过程将硫代酸转化为羧酸

  摘要：

  已经开发了一种可见光促进的原子取代反应，用于以二甲亚砜 (DMSO) 作为氧源将硫代酸转化为羧酸，以超过 90% 的产率提供各种烷基和芳基羧酸。通过硫代酸和 DMSO 之间形成的氢键加合物的光化学反应，原子取代过程顺利进行。提出了涉及 DMSO 的质子耦合电子转移 (PCET) 以及同时产生硫基和羟基自由基是实现转化的关键步骤。

  DOI：

  10.1021/acs.orglett.2c00481

文献信息

• A Facile Synthesis of Thioacids by Hydrolysis of 1-(Acylthio)ethaniminium Chlorides
  作者：Masaharu Toriyama、Haruo Kamijo、Shigeyasu Motohashi、Toshio Takido、Kunio Itabashi

  DOI：10.1080/10426500307837

  日期：2003.8.1

  A facile method for the preparation of thioacids in moderate to good yields has been developed by hydrolysis of 1-(acylthio)ethaniminium chlorides under a liquid-liquid two phase system consisting of benzene and a sodium hydroxide aqueous solution at room temperature. We have achieved facile preparation of these compounds without use of toxic compounds such as hydrogen sulfide.

  通过在由苯和氢氧化钠水溶液组成的液-液两相系统下，在室温下水解 1-（酰硫基）乙胺氯化物，开发了一种以中等至良好收率制备硫代酸的简便方法。我们已经在不使用硫化氢等有毒化合物的情况下轻松制备了这些化合物。
• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162077A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein, R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, a C3-C12 cycloalkyl group or an adamantyl group, etc., which each optionally be substituted; R2 represents a hydrogen atom, an C1-C12 alkyl group, or a halogen atom, etc.; R4 and R5 represent independently of each other a hydrogen atom or an C1-C3 alkyl group, etc.; R6, R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, an C1-C12 alkyl group, a C1-C12 haloalkyl group, an C2-C12 alkenyl group, a C3-C12 cycloalkyl group, an C1-C12 alkoxy group or a C1-C12 haloalkoxy group, etc.; X and Y represent independently of each other a sulfur atom or an oxygen atom; Q represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。式（1）中的四氮杂酮化合物：[其中，R1代表一个C6-C16芳基，一个C1-C12烷基，一个C3-C12环烷基或一个金刚烷基等，每个都可以选择性地被取代；R2代表一个氢原子，一个C1-C12烷基或一个卤素原子等；R4和R5分别独立地代表一个氢原子或一个C1-C3烷基等；R6、R7、R8和R9分别独立地代表一个氢原子，一个卤素原子，一个C1-C12烷基，一个C1-C12卤代烷基，一个C2-C12烯基，一个C3-C12环烷基，一个C1-C12烷氧基或一个C1-C12卤代烷氧基等；X和Y分别独立地代表一个硫原子或一个氧原子；Q代表一个氧原子或一个硫原子；R10代表一个C1-C6烷基等]对害虫有极佳的控制效果。
• Aromatic Graft Polymer
  申请人：Ohuchi Kazuei

  公开号：US20090096355A1

  公开（公告）日：2009-04-16

  An aromatic graft polymer containing one or more kinds of repeating units represented by the following formula (1). (In the formula, Ar 1 represents a divalent residue of a π-conjugated cyclic compound having a side chain represented by the following formula (2), the side chain being bonded to a carbon atom which is included in the ring structure of the divalent π-conjugated-cyclic-compound residue represented by Ar 1 and has an sp 2 hybrid orbital: (wherein Ar 2 represents a divalent group having a residue of a π-conjugated cyclic compound; X 1 represents a direct bond or a divalent group selected from the group consisting of NQ 1 -, —PQ 2 -, and —BQ 3 -, wherein Q 1 to Q 3 each independently represents a substituent; Z represents a direct bond or a divalent connecting group; k is an integer of 3 or larger; and E 1 represents hydrogen, halogeno, or a monovalent organic group, provided that when two or more Ar 2 's, X 1 's, and Z's are present, then they each may be the same or different and when two or more side chains represented by the formula (2) are present, then they may be the same or different.))

  含有由以下公式（1）所表示的一种或多种重复单元的芳香嫁接聚合物。（其中，Ar1表示具有以下公式（2）所表示的侧链的π-共轭环状化合物的二价残基，侧链与包括在由Ar1表示的二价π-共轭环状化合物残基的环结构中的碳原子结合，并具有sp2杂化轨道：（其中，Ar2表示具有π-共轭环状化合物残基的二价基团；X1表示直接键或从由NQ1-，-PQ2-和-BQ3-组成的二价基团中选择的基团，其中Q1到Q3各自独立地表示取代基；Z表示直接键或二价连接基团；k是大于等于3的整数；E1表示氢，卤素或一价有机基团，但当存在两个或更多的Ar2，X1和Z时，它们可以各自相同或不同，当存在两个或更多的由公式（2）表示的侧链时，则它们可以相同或不同。））
• TETRAZOLINONE COMPOUNDS AND ITS USE
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150031733A1

  公开（公告）日：2015-01-29

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein, R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, a C3-C12 cycloalkyl group or an adamantyl group, etc., which each optionally be substituted; R2 represents a hydrogen atom, an C1-C12 alkyl group, or a halogen atom, etc.; R4 and R5 represent independently of each other a hydrogen atom or an C1-C3 alkyl group, etc.; R6, R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, an C1-C12 alkyl group, a C1-C12 haloalkyl group, an C2-C12 alkenyl group, a C3-C12 cycloalkyl group, an C1-C12 alkoxy group or a C1-C12 haloalkoxy group, etc.; X and Y represent independently of each other a sulfur atom or an oxygen atom; Q represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫功效的化合物。公式（1）的四唑酮化合物：[其中，R1代表C6-C16芳基，C1-C12烷基，C3-C12环烷基或金刚烷基等，每个都可以选择性地被取代；R2代表氢原子，C1-C12烷基或卤素原子等；R4和R5分别独立地代表氢原子或C1-C3烷基等；R6、R7、R8和R9分别独立地代表氢原子、卤素原子、C1-C12烷基、C1-C12卤代烷基、C2-C12烯基、C3-C12环烷基、C1-C12烷氧基或C1-C12卤代烷氧基等；X和Y分别独立地代表硫原子或氧原子；Q代表氧原子或硫原子；R10代表C1-C6烷基等]在控制害虫方面表现出优异的效果。
• Phenol derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0166509A1

  公开（公告）日：1986-01-02

  A phenol derivative of the formula wherein NU is a defined bis-phenolic nucleus including a hydroxyphenyl-hydroxynaphthyl; hydroxyphenyl-hydroxyin- danyl, hydroxyphenyl-hydroxybenzothienyl or di-hydroxyphenyl-ethylene or vinylene nucleus; wherein A is alkylene, alkenylene or cycloalkylene which is interrupted by a heterocyclene linkage, wherein R1 is hydrogen, or alkyl, alkenyl, cycloalkyl, halogenoalkyl, aryl or arylalkyl, or R is joined to R2, and wherein X is -CONR2-, -CSNR2-, -NR12CO-, -NR12CS-, -NR12CONR2-, -SO2NR2- or -CO-, or, when R1 is not hydrogen, is -NR12COO-, -S-, -SO- or -S02-, wherein R2 is hydrogen or alkyl, or R1 and R2 together form alkylene; wherein R12 is hydrogen or alkyl, and wherein R22 is hydrogen, cyano or nitro; or a salt thereof when appropriate. The compounds possess antioestrogenic activity and may be used for the treatment of hormone-dependent breast tumours or of anovulatory infertility.

  式中的苯酚衍生物 其中 NU 是定义的双酚核，包括羟基苯基-羟基萘基、羟基苯基-羟基萘基、羟基苯基-羟基苯并噻吩基或二羟基苯基-乙烯基或乙烯基核；其中 A 是被杂环连接打断的亚烷基、烯基或环烷基，R1 是氢、或烷基、烯基、环烷基、卤代烷基、芳基或芳烷基，或 R 与 R2 连接，X 是-CONR2-、-CSNR2-、-NR12CO-、-NR12CS-、-NR12CONR2-、 -SO2NR2-或-CO-，或者当 R1 不是氢时，是-NR12COO-、-S-、-SO-或-S02-，其中 R2 是氢或烷基，或者 R1 和 R2 一起形成亚烷基；其中 R12 是氢或烷基，以及其中 R22 是氢、氰基或硝基；或者适当时是其盐。这些化合物具有抗雌激素活性，可用于治疗激素依赖性乳腺肿瘤或无排卵性不孕症。