bis(((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methyl)amine | 741683-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: bis(((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methyl)amine
• 英文别名: N,N-Di[4,5-dihydro-4(S)-isopropyl-1,3-oxazol-2-yl-methyl]amine；1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
• CAS: 741683-89-6
• 化学式: C₁₄H₂₅N₃O₂
• 分子量: 267.371
• InChiKey: PAXOEUZGTBGXMO-VXGBXAGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  55.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methyl)amine 、 cobalt(II) chloride 以 四氢呋喃 为溶剂， 以87%的产率得到ⁱPr-amboxCoCl₂
  参考文献：
  名称：

  Bisoxazoline-pincer ligated cobalt-catalyzed hydrogenation of alkenes

  摘要：

  The efficient and atom economical hydrogenation of alkenes using a novel bisoxazoline ligated cobalt complex has been developed. The hydrogenation of a variety of alkenes containing electron neutral and electron-donating groups proceeds in high yield, while electron-withdrawing and sterically hindered groups are not tolerated. Heterocycles and internal alkenes were also hydrogenated in moderate to high yields. While the catalyst is enantiopure, no enantioinduction was observed suggesting that other factors are involved in achieving enantiocontrol. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2020.114416
• 作为产物：
  描述：

  L-缬氨醇 、 亚氨基二乙腈 在 zinc(II) chloride 作用下， 以 氯苯 为溶剂， 反应 24.0h， 以21%的产率得到bis(((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methyl)amine
  参考文献：
  名称：

  Bisoxazoline-pincer ligated cobalt-catalyzed hydrogenation of alkenes

  摘要：

  The efficient and atom economical hydrogenation of alkenes using a novel bisoxazoline ligated cobalt complex has been developed. The hydrogenation of a variety of alkenes containing electron neutral and electron-donating groups proceeds in high yield, while electron-withdrawing and sterically hindered groups are not tolerated. Heterocycles and internal alkenes were also hydrogenated in moderate to high yields. While the catalyst is enantiopure, no enantioinduction was observed suggesting that other factors are involved in achieving enantiocontrol. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2020.114416

文献信息

• Ligands and complex compounds containing the same
  申请人：Mashima Kazushi

  公开号：US20060111572A1

  公开（公告）日：2006-05-25

  A ligand represented by the formula (1): R 1 R 2 N-Q 1 -X-Q 2 -NR 3 R 4 (1) wherein R 1 , R 2 , R 3 and R 4 are each the same or different and represent a group represented by the formula (2): wherein Q 3 is an optionally substituted alkylene group, an optionally substituted cycloalkylene group, an optionally substituted arylene group, or an optionally substituted divalent heterocyclic group, R 5 is an optionally substituted alkyl group, an optionally substituted aryl group or an optionally substituted heterocyclic group and R 6 is a substituent which may coordinate or bind to a metal atom, or R 5 and R 6 , taken together, may form a ring, Q 1 and Q 2 are each the same or different and represent an optionally substituted alkylene group or a single bond, and X is a divalent spacer.

  一种配体，其化学式表示为（1）：R1R2N-Q1-X-Q2-NR3R4（1），其中R1、R2、R3和R4均相同或不同，表示式（2）所表示的基团，其中Q3是可选取代的烷基、环烷基、芳基或二价杂环基，R5是可选取代的烷基、芳基或杂环基，R6是可配位或结合到金属原子的取代基，或R5和R6一起形成环，Q1和Q2均相同或不同，表示可选取代的烷基或单键，X是二价间隔基。
• LIGANDS AND COMPLEX COMPOUNDS CONTAINING THE SAME
  申请人：Takasago International Corporation

  公开号：EP1591439A1

  公开（公告）日：2005-11-02

  A ligand represented by the formula (1):         R1R2N-Q1-X-Q2-NR3R4     (1) wherein R1, R2, R3 and R4 are each the same or different and represent a group represented by the formula (2): wherein Q3 is an optionally substituted alkylene group, an optionally substituted cycloalkylene group, an optionally substituted arylene group, or an optionally substituted divalent heterocyclic group, R5 is an optionally substituted alkyl group, an optionally substituted aryl group or an optionally substituted heterocyclic group and R6 is a substituent which may coordinate or bind to a metal atom, or R5 and R6, taken together, may form a ring, Q1 and Q2 are each the same or different and represent an optionally substituted alkylene group or a single bond, and X is a divalent spacer.

  由式 (1) 表示的配体： R1R2N-Q1-X-Q2-NR3R4 (1) 其中 R1、R2、R3 和 R4 各自相同或不同，并代表由式（2）表示的基团： 其中 Q3 是任选取代的亚烷基、任选取代的环亚烷基、任选取代的芳烷基或任选取代的二价杂环基团，R5 是任选取代的烷基、任选取代的芳烷基或任选取代的杂环基团，R6 是可与金属原子配位或结合的取代基，或 R5 和 R6 合在一起可形成一个环，Q1 和 Q2 各自相同或不同并代表任选取代的亚烷基或单键，X 是二价间隔物。
• EP1591439
  申请人：——

  公开号：——

  公开（公告）日：——
• US7635776B2
  申请人：——

  公开号：US7635776B2

  公开（公告）日：2009-12-22
• Bisoxazoline-pincer ligated cobalt-catalyzed hydrogenation of alkenes
  作者：Mikhaila D. Ritz、Astrid M. Parsons、Philip N. Palermo、William D. Jones

  DOI：10.1016/j.poly.2020.114416

  日期：2020.4

  The efficient and atom economical hydrogenation of alkenes using a novel bisoxazoline ligated cobalt complex has been developed. The hydrogenation of a variety of alkenes containing electron neutral and electron-donating groups proceeds in high yield, while electron-withdrawing and sterically hindered groups are not tolerated. Heterocycles and internal alkenes were also hydrogenated in moderate to high yields. While the catalyst is enantiopure, no enantioinduction was observed suggesting that other factors are involved in achieving enantiocontrol. (C) 2020 Elsevier Ltd. All rights reserved.