(E,Z)-3-amino-1-chloro-1-propene | 4152-99-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: (E,Z)-3-amino-1-chloro-1-propene
• 英文别名: 3-Chlor-propenyl-amin；3-chloro-allylamine；3-Amino-1-chlor-propen；3-Chlor-allylamin；3-Chloroprop-2-en-1-ylamine；3-chloroprop-2-en-1-amine
• CAS: 4152-99-2
• 化学式: C₃H₆ClN
• 分子量: 91.5403
• InChiKey: ZOGFQDXLOXDFHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  bromo-succinyl chloride 、 (E,Z)-3-amino-1-chloro-1-propene 生成
  参考文献：
  名称：

  FR2250740

  摘要：

  公开号：

文献信息

• Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide
  作者：Ren-Yu Qu、Jia-Xu Nan、Yao-Chao Yan、Qiong Chen、Ferdinand Ndikuryayo、Xue-Fang Wei、Wen-Chao Yang、Hong-Yan Lin、Guang-Fu Yang

  DOI：10.1021/acs.jafc.0c03844

  日期：2021.1.13

  4-Hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) has been recognized as one of the most promising targets in the field of herbicide innovation considering the severity of weed resistance currently. In a persistent effort to develop effective HPPD-inhibiting herbicides, a structure-guided strategy was carried out to perform the structural optimization for triketone-quinazoline-2,4-diones, a

  考虑到目前对杂草的抗性的严重性，4-羟基苯基丙酮酸双加氧酶（HPPD，EC 1.13.11.27）被公认为是除草剂创新领域最有希望的目标之一。为了开发有效的抑制HPPD的除草剂，我们进行了结构导向的策略，以对三酮喹唑啉-2,4-二酮（我们在实验室中首次发现的新型HPPD抑制剂支架）进行结构优化。在此，从与6-（2-羟基-6-氧代环己基-1-烯-1-羰基）-1,5-二甲基-3-（邻甲苯基）喹唑啉络合的拟南芥（At）HPPD的晶体结构开始-2,4（1 H，3 H）-二酮（MBQ），通过优化R 1位置核心结构侧链与At HPPD活性位点入口处的疏水口袋之间的疏水相互作用，设计和制备了quinazoline-2,4-dione衍生物的三个亚系列。6-（2-羟基-6-氧代环己-1-烯-1-羰基）-1,5-二甲基-3-（3-（三甲基甲硅烷基）丙-2-炔-1-基）喹唑啉-2,4（对At HPPD具有最佳抑制活性的1
• A Second Generation Synthesis of Roseophilin and Chromophore Analogues
  作者：Alois Fürstner、Thomas Gastner、Holger Weintritt

  DOI：10.1021/jo982088t

  日期：1999.4.1

  A concise, flexible, and high-yielding synthesis of the macrocyclic compound 4 is outlined which served as a key intermediate in a previous total synthesis of the antitumor active alkaloid roseophilin 1. The key steps of this approach consist of a Pd(0)-catalyzed reaction of vinyloxirane 6 with sulfone 7 and in a subsequent ring closing metathesis (RCM) reaction for the formation of the 13-membered ring catalyzed by the ruthenium carbene Cl-2(PCy3)(2)Ru=CHCH=CPh2 introduced by Grubbs. Moreover, nitrile ylide cycloaddition reactions are used for the preparation of roseophilin side chain mimics. Finally, the synthesis of various chromophore analogues of 1 is reported, including deschloro-desmethoxyroseophilin 12 which is the most elaborate derivative of this complex target reported so far.