S-hexyl-isothiourea; S-hexyl-isothiuronium-chloride | 61988-51-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: S-hexyl-isothiourea; S-hexyl-isothiuronium-chloride
• 英文别名: S-Hexyl-isothioharnstoff; S-Hexyl-isothiouronium-chlorid；Hexyl carbamimidothioate;hydrochloride
• CAS: 61988-51-0
• 化学式: C₇H₁₆N₂S*ClH
• 分子量: 196.744
• InChiKey: KOTDEOVUUAVDLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.62
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  76.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-hexyl-isothiourea; S-hexyl-isothiuronium-chloride 在 草酰氯 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 4-(Hexane-1-sulfinyl)-[1,3,5]triazin-2-ylamine
  参考文献：
  名称：

  A facile preparation of a combinatorial library of 2,6-disubstituted triazines

  摘要：

  Thiouronium salts of type 3 as dinucleophiles are excellent precursors for the synthesis of various heterocycles in combination through cyclization with a large variety of electrophiles. Using this strategy, 2,6-disubstituted-[l,3,5] triazines of types 4 and 6 have been prepared in good yields. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01164-2

文献信息

• Process for producing 5-hydroxy-4-thiomethylpyrazole compound
  申请人：Uchida Yukio

  公开号：US20070185334A1

  公开（公告）日：2007-08-09

  A pyrazole compound represented by general formula (1) is reacted with a sulfur compound represented by general formula (2) in the presence of a base and formaldehyde, to thereby produce a 5-hydroxy-4-thiomethylpyrazole compound represented by general formula (3). The 5-hydroxy-4-thiomethylpyrazole compound may easily be produced in a good yield, by using such a process. Further, this process may easily provide the 5-hydroxy-4-thiomethylpyrazole compound under a mild condition in a single step, without using a special apparatus, an expensive catalyst, or a transition metal, etc. In addition, this process may be conducted substantially without producing a harmful waste which can be derived from a catalyst, etc., and therefore this process is friendly to the environment and industrially valuable.

  在碱和甲醛的存在下，用通式（1）表示的吡唑化合物与通式（2）表示的硫化合物反应，从而产生一个通式（3）表示的5-羟基-4-硫甲基吡唑化合物。通过使用这种方法，可以轻松地获得良好的产量的5-羟基-4-硫甲基吡唑化合物。此外，这个过程可以在温和的条件下，在单一步骤中轻松地提供5-羟基-4-硫甲基吡唑化合物，而不需要使用特殊的设备、昂贵的催化剂或过渡金属等。此外，这个过程几乎不会产生可以从催化剂等中得到的有害废物，因此这个过程对环境友好且具有工业价值。
• PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1767528B1

  公开（公告）日：2014-09-17
• US7488831B2
  申请人：——

  公开号：US7488831B2

  公开（公告）日：2009-02-10
• A facile preparation of a combinatorial library of 2,6-disubstituted triazines
  作者：T. Masquelin、Y. Delgado、V. Baumlé

  DOI：10.1016/s0040-4039(98)01164-2

  日期：1998.8

  Thiouronium salts of type 3 as dinucleophiles are excellent precursors for the synthesis of various heterocycles in combination through cyclization with a large variety of electrophiles. Using this strategy, 2,6-disubstituted-[l,3,5] triazines of types 4 and 6 have been prepared in good yields. (C) 1998 Elsevier Science Ltd. All rights reserved.