4-propylthiane | 115051-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 4-propylthiane
• 英文别名: 4-Propyl-tetrahydro-thiopyran
• CAS: 115051-65-5
• 化学式: C₈H₁₆S
• 分子量: 144.281
• InChiKey: FVSZMZGLZFLRNA-UHFFFAOYSA-N

物化性质

• 沸点：
  209.5 °C
• 密度：
  0.901±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 可旋转键数：
  2
• 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：

  4-propylthiane 、 [closo-1-CB9H8-1-COOMe-10-N2] 反应 2.0h， 生成 [closo-1-CB9H8-1-COOMe-10-(4-C3H7C5H9S)]
  参考文献：
  名称：

  Investigation of high Δεderivatives of the [closo-1-CB₉H₁₀]⁻anion for liquid crystal display applications

  摘要：

  两系列硫铵咪唑离子化合物，作为高Δε添加剂，用于向列相体系中的[closo-1-CB₉H₁₀]−阴离子。

  DOI：

  10.1039/c4tc00230j
• 作为产物：
  描述：

  3,3'-硫代二丙酸二甲酯 在 乙醚 、 硫酸 、 sodium methylate 、 草酸 、 溶剂黄146 、 甲苯 作用下， 生成 4-propylthiane
  参考文献：
  名称：

  Onesta; Castelfranchi, Gazzetta Chimica Italiana, 1959, vol. 89, p. 1127,1136

  摘要：

  DOI：

文献信息

• PKM2 MODULATORS AND METHODS FOR THEIR USE
  申请人：TOLERO PHARMACEUTICALS, INC.

  公开号：US20150344436A1

  公开（公告）日：2015-12-03

  Compounds having activity as PKM2 activators are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明揭示了具有PKM2激活剂活性的化合物。该化合物具有以下结构（I）：包括立体异构体、互变异构体、药学上可接受的盐和其前药，其中R1、R2、R3、R4、R5和R6如本文所定义。本发明还揭示了与制备和使用这种化合物相关的方法，以及包含这种化合物的制药组合物。
• The preparation of [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)] as intermediate to polar liquid crystals
  作者：Jacek Pecyna、Richard P. Denicola、Bryan Ringstrand、Aleksandra Jankowiak、Piotr Kaszynski

  DOI：10.1016/j.poly.2011.06.022

  日期：2011.9

  The preparation of iodo acid [closo-1-CB9H8-1-COOH-10-I](-) (1) is optimized and scaled from 1 to 40 g of B10H14. The improved preparation of the [arachno-6-CB9H13-6-COOH](-) (5) uses four times smaller volume and can be run conveniently in up to 40 g scale in a 3-L vessel. The optimized oxidation of 5 to [closo-2-CB9H9-2-COOH](-) (4) requires less oxidant, 12 times smaller volume, and significantly shorter reaction time. The overall yields of the iodo acid 1 as the [NMe4](+) salt are typically 8-10% (10-12 g) for 40 g of B10H14. The iodo acid 1 was transformed to amino acid 8, then to dinitrogen acid 10, and finally to sulfonium acid 2[3] in overall yield of about 13%. The search for a more efficient phosphine ligand for the Pd-catalyzed amination process was not fruitful. Three routes to the sulfonium acid 2[n] were investigated, and the best yield of about 47% was obtained for Cs2CO3-assisted cycloalkylation. Liquid crystalline ester of acid 2[3] and 4-butoxyphenol was prepared and investigated. (C) 2011 Elsevier Ltd. All rights reserved.
• EP2909181B1
  申请人：——

  公开号：EP2909181B1

  公开（公告）日：2017-08-09
• US9394257B2
  申请人：——

  公开号：US9394257B2

  公开（公告）日：2016-07-19
• [EN] PKM2 MODULATORS AND METHODS FOR THEIR USE<br/>[FR] MODULATEURS DE PKM2 ET PROCÉDÉS POUR LES UTILISER
  申请人：TOLERO PHARMACEUTICALS INC

  公开号：WO2014062838A2

  公开（公告）日：2014-04-24

  Compounds having activity as PKM2 activators are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.