2-(异丙基硫代)乙胺 | 927-69-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-(异丙基硫代)乙胺
• 英文名称: 2-Isopropylmercapto-aethylamin
• 英文别名: β-Isopropylmercapto-aethylamin；2-isopropylsulfanyl-ethylamine；1-Amino-2-isopropylmercapto-aethan；2-(Isopropylthio)ethanamine；2-propan-2-ylsulfanylethanamine
• CAS: 927-69-5
• 化学式: C₅H₁₃NS
• mdl: MFCD00015545
• 分子量: 119.231
• InChiKey: QDMWHNBXADHQCO-UHFFFAOYSA-N

物化性质

• 沸点：
  171-173 °C
• 密度：
  0.923±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-(异丙基硫代)乙胺 在 palladium on activated charcoal Oxone 、 氢气 、 碳酸氢钠 作用下， 以 甲醇 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-异丙基磺酰乙胺
  参考文献：
  名称：

  Optimization and SAR for dual ErbB-1/ErbB-2 tyrosine kinase inhibition in the 6-furanylquinazoline series

  摘要：

  Synthetic modifications on a 6-furanylquinazoline scaffold to optimize the dual ErbB-1/ErbB-2 tyrosine kinase inhibition afforded consistent SAR whereby a 4-(3-fluorobenzyloxy)-3-haloanilino provided the best enzyme potency and cellular selectivity. Changes made to the 6-furanyl group had little impact on the enzyme activity, but appeared to dramatically affect the cellular efficacy. The discovery of lapatinib emerged from this work. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.090
• 作为产物：
  描述：

  2-氨基乙醇硫酸氢酯 、 异丙硫醇 在 sodium hydroxide 作用下， 生成 2-(异丙基硫代)乙胺
  参考文献：
  名称：

  Tsatsas,G. et al., Bulletin de la Societe Chimique de France, 1964, p. 3100 - 3102

  摘要：

  DOI：

文献信息

• Synthesis, characterization, and catalytic behaviours of β-carbonylenamine-derived [O−NS]TiCl3 complexes in ethylene homo- and copolymerization
  作者：Xiao-Hong Yang、Zheng Wang、Xiu-Li Sun、Yong Tang

  DOI：10.1039/b910868h

  日期：——

  A series of [O−NS]TiCl3 complexes 5a–l derived from β-carbonylenamine were synthesized and characterized. In the presence of modified methylaluminoxane (MMAO), complexes 1, 5a–i and 5l are highly active for ethylene polymerization and copolymerization of ethylene with 1-hexene, CPE and NBE. Up to 5.12 × 106 g mol−1 h−1 atm−1 of activity for the copolymerization of ethylene with 1-hexene is achieved with a 28.9 mol% incorporation ratio.

  合成并表征了一系列来自β-羰基胺的[O−NS]TiCl3配合物5a–l。在改性甲基铝氧烯(MMAO)的存在下，配合物1、5a–i和5l对乙烯聚合及乙烯与1-己烯、CPE和NBE的共聚合表现出高活性。在乙烯与1-己烯的共聚合中，活性达到5.12 × 10^6 g mol−1 h−1 atm−1，聚合比例达到28.9 mol%。
• Synthesis, Characterization, and Highly Selective Ethylene Dimerization to 1-Butene of [O−NX]Ni(II) Complexes
  作者：Chongjie Xu、Qi Shen、Xiuli Sun、Yong Tang

  DOI：10.1002/cjoc.201100443

  日期：2012.5

  series of nickel(II) complexes have been synthesized and characterized. Molecular structure analysis exhibits that a square planar geometry around nickel is adopted. Upon activation with MAO, these nickel(II) complexes are efficient in catalyzing the ethylene dimerization, providing 1‐butene with an activity of up to 1.4×107 g/(mol·h·atm). The heteroatoms of the sidearm in the complexes were proved to

  已经合成和表征了一系列镍（II）配合物。分子结构分析表明，采用了围绕镍的正方形平面几何形状。通过MAO活化后，这些镍（II）络合物可有效催化乙烯二聚，从而提供1-丁烯，其活性最高可达1.4×10 7 g /（mol·h·atm）。络合物中侧臂的杂原子被证明对1-丁烯的活性和选择性有很大的影响。
• Well-Defined NNS-Mn Complex Catalyzed Selective Synthesis of C-3 Alkylated Indoles and Bisindolylmethanes Using Alcohols
  作者：Avijit Mondal、Rahul Sharma、Bishal Dutta、Debjyoti Pal、Dipankar Srimani

  DOI：10.1021/acs.joc.1c02702

  日期：2022.3.18

  Herein, we demonstrated Mn-catalyzed selective C-3 functionalization of indoles with alcohols. The developed catalyst can also furnish bis(indolyl)methanes from the same set of substrates under slightly modified reaction conditions. Mechanistic studies reveal that the C-3 functionalization of indoles is going via a borrowing hydrogen pathway. To highlight the practical utility, a diverse range of substrates

  在此，我们展示了 Mn 催化的吲哚与醇的选择性 C-3 官能化。开发的催化剂还可以在稍微改进的反应条件下从同一组底物提供双（吲哚基）甲烷。机理研究表明，吲哚的 C-3 官能化是通过借氢途径进行的。为了突出实用性，合成了多种底物，包括九种结构上重要的药物分子。此外，我们还介绍了一种一锅级联策略，用于直接从 2-氨基苯基乙醇和酒精合成 C-3 官能化吲哚。
• Batra; Sharma, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 3, p. 327 - 331
  作者：Batra、Sharma

  DOI：——

  日期：——
• Copolymerization of Ethylene with Functionalized Olefins by [ONX] Titanium Complexes
  作者：Zhou Chen、Jun-Fang Li、Wen-Jie Tao、Xiu-Li Sun、Xiao-Hong Yang、Yong Tang

  DOI：10.1021/ma400283p

  日期：2013.4.9

  A series of titanium complexes bearing [ONX] tridentate ligands have been synthesized and characterized. The complexes containing sulfur or phosphine donors showed high activity in the copolymerization of ethylene with 9-decen-1-ol (up to 1.3 x 10(8) g polymer (mol Ti)(-1) h(-1)) with an incorporation ratio of up to 8.8 mol %. Moreover, they have also shown excellent capability for copolymerization of ethylene with AlBu3i (or tert-butylchlorodimethylsilane) pretreated 4-penten-1-ol, omega-alkenoic acid, and omega-alkenoic ester, as well as unprotected tertiary amine.