2-Isopropyl-pentamethylensulfid | 17912-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 2-Isopropyl-pentamethylensulfid
• 英文别名: 2-isopropylthiane；2-Propan-2-ylthiane
• CAS: 17912-24-2
• 化学式: C₈H₁₆S
• 分子量: 144.281
• InChiKey: ZESMHTIBLHAWAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-Isopropyl-pentamethylensulfid 在 silver perchlorate 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 2.25h， 生成 trans-1-tert-butoxy-2-isopropylthianium perchlorate
  参考文献：
  名称：

  Stereoselective Synthesis oftrans-2-Alkylthiane 1-Oxides

  摘要：

  2-烷基噻烷与叔丁基次氯酸盐反应生成反式-1-叔丁氧噻烷盐，这些盐在高立体选择性下水解为反式-2-烷基噻烷-1-氧化物。

  DOI：

  10.1055/s-1990-27088
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 aluminium oxide-chromium oxide catalyst 、 硫化氢 作用下， 生成 2-Isopropyl-pentamethylensulfid
  参考文献：
  名称：

  Hopkins; Rall, ACS Division of Petroleum Chemistry, Inc. Preprints, 1957, vol. 2, # 1, p. 231,233, 237

  摘要：

  DOI：

文献信息

• Stereoselective synthesis of cis and trans n-tosyl sulphilimines and sulphoxides from 2-alkylthianes and 2-alkylthiolanes assignments of configurations
  作者：I. Jalsovszky、F. Ruff、M. Kajtár-Peredy、I. Kövesdi、Á. Kucsman

  DOI：10.1016/s0040-4020(01)88170-9

  日期：1986.1

  thiolane derivatives with 2-methyl, 2-ethyl, 2-isopropyl and 2-tert-butyl groups were prepared and converted to cis and trans sulphilimines and sulphoxides by various stereoselective methods. Cis-sulphilimines were formed by using t-BuOCl and TsNH- in a two-stage process, while cyclic sulphides were converted by chloramine-T predominantly to trans-sulphilimines. Sulphoxides enriched in cis and trans isomers

  制备具有2-甲基，2-乙基，2-异丙基和2-叔丁基的噻吩和硫杂环戊烷衍生物，并通过各种立体选择性方法将其转化为顺式和反式亚硫亚胺和亚砜。顺式sulphilimines通过使用T-BuOCl和TsNH形成-在一个两阶段过程，而环状硫化物通过氯胺-T主要转化成反式- sulphilimines。通过不同的氧化方法获得了富含顺式和反式异构体的亚砜。通过hplc测量非对映异构产物分布，并通过13 C NMR光谱法确定非对映异构体的构型。通过分析13 C NMR和X射线数据确定了亚砜亚胺的优选构象。如图13所示在13 C NMR光谱中，亚硫亚胺和亚砜的构型是相似的。
• Inhibitor for enzyme having two divalent metal ions as active center
  申请人：Kiyama Ryuichi

  公开号：US20100068695A1

  公开（公告）日：2010-03-18

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作酶抑制剂的药物组合物，该酶具有两个二价金属离子作为活性中心。通过化合物能够螯合这两个二价金属离子中的任意一个或两个，从而抑制酶的活性。
• Substituted Amidine Compounds for Combating Animal Pests
  申请人：Kaiser Florian

  公开号：US20110257011A1

  公开（公告）日：2011-10-20

  The invention relates to substituted amidine compounds of formula (I), to the enantiomers, diastereomers and salts thereof and to compositions comprising such compounds. The invention also relates to the use of the substituted amidine compounds, of their salts or of compositions comprising them for combating animal pests. Furthermore the invention relates also to methods of applying such substituted amidine compounds. The substituted amidine compounds of the present invention are defined by the following formula I: wherein A 1 to A 4 , B 1 to B 3 , R 1 to R 3 , (R 4 ) p , (R 5 ) q , X and Y are defined as in the description.

  本发明涉及公式（I）的取代氨基化合物，其对映异构体、对映异构体和其盐以及含有这种化合物的组合物。本发明还涉及使用取代氨基化合物、其盐或含有它们的组合物来对抗动物害虫。此外，本发明还涉及应用这种取代氨基化合物的方法。本发明的取代氨基化合物由以下公式I定义：其中A1到A4，B1到B3，R1到R3，（R4）p，（R5）q，X和Y如描述中所定义。
• Substituted ketonic isoxazoline compounds and derivatives for combating animal pests
  申请人：Koerber Karsten

  公开号：US20120309620A1

  公开（公告）日：2012-12-06

  The invention relates to substituted ketonic isoxazoline compounds of formula (I), to the enantiomers, diastereomers and salts thereof and to compositions comprising such compounds. The invention also relates to the use of the substituted ketonic isoxazoline compounds, of their salts or of compositions comprising them for combating animal pests. Furthermore the invention relates also to methods of applying such substituted ketonic isoxazoline compounds. The substituted ketonic isoxazoline compounds of the present invention are defined by the following formula I: wherein A 1 to A 4 , R 1 to R 3 , (R 4 ) p , (R 5 ) q , X and (G) m are defined as in the description.

  本发明涉及式(I)的取代酮异噁唑化合物，其对映异构体、二对映异构体和盐，以及包含这些化合物的组合物。本发明还涉及使用所述取代酮异噁唑化合物、其盐或包含它们的组合物来对抗动物害虫。此外，本发明还涉及应用这些取代酮异噁唑化合物的方法。本发明的取代酮异噁唑化合物由以下式(I)定义：其中A1至A4、R1至R3、(R4)p、(R5)q、X和(G)m的定义如描述中所示。
• SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS
  申请人：Acucela Inc.

  公开号：US20160229831A1

  公开（公告）日：2016-08-11

  The present invention relates generally to compositions and methods for treating neurodegenerative diseases and disorders, particularly ophthalmic diseases and disorders. Provided herein are substituted 3-phenylpropylamine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compositions are useful for treating and preventing ophthalmic diseases and disorders, including age-related macular degeneration (AMD) and Stargardt's Disease.

  本发明涉及治疗神经退行性疾病和疾病的组合物和方法，特别是眼科疾病和疾病。本文提供了替代的3-苯基丙胺衍生物化合物和包含该化合物的药物组合物。所述组合物对于治疗和预防眼科疾病和疾病，包括年龄相关性黄斑变性（AMD）和Stargardt病具有用处。

表征谱图