2-(异丙叉丙酮氧基)乙胺 1HCL | 91339-50-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(异丙叉丙酮氧基)乙胺 1HCL
• 中文别名: 2-(异丙叉丙酮氧基)乙胺1盐酸盐；2-(异丙叉丙酮氧基)乙胺1HCL
• 英文名称: 2-<2,4,6-Trimethyl-phenoxy>-aethylamin
• 英文别名: 2-(Mesityloxy)ethanamine；2-(2,4,6-trimethylphenoxy)ethanamine
• CAS: 91339-50-3
• 化学式: C₁₁H₁₇NO
• mdl: MFCD06149949
• 分子量: 179.262
• InChiKey: NWFGWNKUWSKFLT-UHFFFAOYSA-N

物化性质

• 沸点：
  100-101 °C(Press: 0.25 Torr)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  2-(异丙叉丙酮氧基)乙胺 1HCL 、 S-甲基异硫脲硫酸盐 以 水 为溶剂， 生成 N-[2-(2,4,6-Trimethyl-phenoxy)-aethyl]-guanidin
  参考文献：
  名称：

  潜在的抗高血压药。一些胍基衍生物。

  摘要：

  DOI：

  10.1021/jm00342a017
• 作为产物：
  描述：

  2,4,6-三甲酚 、 氯乙腈 生成 2-(异丙叉丙酮氧基)乙胺 1HCL
  参考文献：
  名称：

  潜在的抗高血压药。一些胍基衍生物。

  摘要：

  DOI：

  10.1021/jm00342a017

文献信息

• Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives
  作者：Jing-Ping Lu、Xiu-Hua Yuan、Hai Yuan、Wen-Long Wang、Baojie Wan、Scott G. Franzblau、Qi-Zhuang Ye

  DOI：10.1002/cmdc.201100003

  日期：2011.6.6

  pocket, seven bengamide derivatives were synthesized and evaluated for inhibition of MtMetAP1a and MtMetAP1c in different metalloforms, inhibition of M. tuberculosis growth in replicating and non‐replicating states, and inhibition of human K562 cell growth. Potent inhibition of MtMetAP1a and MtMetAP1c and modest growth inhibition of M. tuberculosis were observed for some of these derivatives. Crystal structures

  甲硫氨酸氨肽酶 (MetAP) 在许多细菌中执行蛋白质 N 末端加工的基本功能，是开发新型抗结核药物的有希望的目标。天然苯甲酰胺通过靶向 MetAP 酶有效抑制哺乳动物细胞的增殖，与苯甲酰胺衍生物复合的人类 2 型 MetAP 的 X 射线晶体结构揭示了活性位点的关键相互作用。通过保留与结合袋内保守残基的相互作用，同时探索结合袋周围细菌和人类 MetAP 之间的差异，合成了七种苯甲酰胺衍生物，并评估了对不同金属型中Mt MetAP1a 和Mt MetAP1c 的抑制作用，以及对结核分枝杆菌的抑制复制和非复制状态下的生长，以及抑制人类 K562 细胞的生长。对于这些衍生物中的一些，观察到Mt MetAP1a 和Mt MetAP1c 的有效抑制和结核分枝杆菌的适度生长抑制。Mt MetAP1c 与两种衍生物复合的晶体结构为改进这些抑制剂的效力和选择性提供了有价值的结构信息。
• A Fully Integrated High-Throughput Screening Methodology for the Discovery of New Polyolefin Catalysts:  Discovery of a New Class of High Temperature Single-Site Group (IV) Copolymerization Catalysts
  作者：Thomas R. Boussie、Gary M. Diamond、Christopher Goh、Keith A. Hall、Anne M. LaPointe、Margarete Leclerc、Cheryl Lund、Vince Murphy、James A. W. Shoemaker、Ursula Tracht、Howard Turner、Jessica Zhang、Tetsuo Uno、Robert K. Rosen、James C. Stevens

  DOI：10.1021/ja020868k

  日期：2003.4.1

  For the first time, new catalysts for olefin polymerization have been discovered through the application of fully integrated high-throughput primary and secondary screening techniques supported by rapid polymer characterization methods. Microscale 1-octene primary screening polymerization experiments combining arrays of ligands with reactive metal complexes M(CH2Ph)(4) (M = Zr, Hf) and multiple activation conditions represent a new high-throughput technique for discovering novel group (IV) polymerization catalysts. The primary screening methods described here have been validated using a commercially relevant polyolefin catalyst, and implemented rapidly to discover the new amide-ether based hafnium catalyst [eta(2)-(N,O)-(2-MeO-C6H4)(2,4,6-Me3C6H2)N]Hf(CH2Ph)(3) (1), which is capable of polymerizing 1-octene to high conversion. The molecular structure of I has been determined by X-ray diffraction. Larger scale secondary screening experiments performed on a focused 96-member amine-ether library demonstrated the versatile high temperature ethylene-1-octene copolymerization capabilities of this catalyst class, and led to significant performance improvements over the initial primary screening discovery. Conventional one gallon batch reactor copolymerizations performed using selected amide-ether hafnium compounds confirmed the performance features of this new catalyst class, serving to fully validate the experimental results from the high-throughput approaches described herein.