7-methoxy-1-(4-((R)-1-phenylethylamino)phthalazin-1-yl)naphthalen-2-yl trifluoromethanesulfonate | 870766-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-methoxy-1-(4-((R)-1-phenylethylamino)phthalazin-1-yl)naphthalen-2-yl trifluoromethanesulfonate
• 英文别名: Trifluoromethanesulfonic acid 7-methoxy-1-[4-((R)-1-phenylethylamino)-phthalazin-1-yl]naphthalen-2-yl ester；[7-methoxy-1-[4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
• CAS: 870766-72-6
• 化学式: C₂₈H₂₂F₃N₃O₄S
• 分子量: 553.562
• InChiKey: ZAIDEBCZGCMUNP-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  98.8
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  7-methoxy-1-(4-((R)-1-phenylethylamino)phthalazin-1-yl)naphthalen-2-yl trifluoromethanesulfonate 、 二苯基膦 在 1,2-双(二苯基膦)乙烷氯化镍 三乙烯二胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以35%的产率得到[4-(2-Diphenylphosphanyl-7-methoxy-naphthalen-1-yl)-phthalazin-1-yl]-((R)-1-phenylethyl)-amine
  参考文献：
  名称：

  Copper-Catalyzed Coupling of Pyridines and Quinolines with Alkynes:  A One-Step, Asymmetric Route to Functionalized Heterocycles

  摘要：

  [GRAPHICS]A copper (I)-catalyzed, asymmetric method to directly functionalize pyridines, quinolines, and isoquinolines with terminal alkynes is described. The reaction is readily diversified to incorporate a range of pyridine-based heterocycles and electron-rich or electron-poor alkynes. This provides a straightforward alternative to nucleophilic or cross-coupling approaches to directly derivatize these heterocycles, and yields useful propargylcarbamates.

  DOI：

  10.1021/jo702293h
• 作为产物：
  描述：

  trifluoromethanesulfonic acid 1-(4-chlorophthalazin-1-yl)-7-methoxynaphthalen-2-yl ester 、 R(+)-alpha-甲基苄胺 在 silica gel 、 toluene-ethyl acetate 作用下， 反应 8.0h， 以to give 2.1 g (3.8 mmol) of the title compound的产率得到7-methoxy-1-(4-((R)-1-phenylethylamino)phthalazin-1-yl)naphthalen-2-yl trifluoromethanesulfonate
  参考文献：
  名称：

  Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst

  摘要：

  本发明提供一种化合物，其表示为式（I）：其中环A为空或是一种苯环，可选地具有取代基，R1和R2各自独立地为苯基，可选地具有取代基，环己基等，R3和R4各自独立地为氢原子，卤素原子，低碳基，低烷氧基等，X是由—OR5或—NHR6表示的残基，其中R5和R6是低碳基，可选地具有取代基，芳基烷基等，该化合物作为配体的不对称过渡金属复合物以及使用该复合物作为不对称催化剂的光学活性化合物的生产方法。

  公开号：

  US20050277772A1

文献信息

• MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1773853A1

  公开（公告）日：2007-04-18
• US7790882B2
  申请人：——

  公开号：US7790882B2

  公开（公告）日：2010-09-07
• [EN] MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS<br/>[FR] COMPOSES DE MONOPHOSPHINE, COMPLEXES DE METAUX DE TRANSITION ASSOCIES ET PRODUCTION DE COMPOSES ACTIFS SUR LE PLAN OPTIQUE AU MOYEN DESDITS COMPLEXES EN TANT QUE CATALYSEURS ASYMETRIQUES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2005121157A1

  公开（公告）日：2005-12-22

  The present invention provides a compound represented by the formula (I): wherein ring A is void or a benzene ring optionally having substituent(s), R1 and R2 are each independently a phenyl group optionally having substituent(s), a cyclohexyl group and the like, R3 and R4 are each independently a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group and the like, and X is a residue represented by -OR5 or -NHR6 wherein R5 and R6 are a lower alkyl group optionally having substituent(s), an aralkyl group optionally having substituent(s) and the like, a asymmetric transition metal complex containing the compound as a ligand and a production method of optically active compound using the complex as an asymmetric catalyst.
• Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst
  申请人：Carreira M. Erick

  公开号：US20050277772A1

  公开（公告）日：2005-12-15

  The present invention provides a compound represented by the formula (I): wherein ring A is void or a benzene ring optionally having substituent(s), R 1 and R 2 are each independently a phenyl group optionally having substituent(s), a cyclohexyl group and the like, R 3 and R 4 are each independently a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group and the like, and X is a residue represented by —OR 5 or —NHR 6 wherein R 5 and R 6 are a lower alkyl group optionally having substituent(s), an aralkyl group optionally having substituent(s) and the like, a asymmetric transition metal complex containing the compound as a ligand and a production method of optically active compound using the complex as an asymmetric catalyst.

  本发明提供了一种由以下式（I）表示的化合物： 其中环A为空或是一个苯环，可选地具有取代基，R1和R2分别独立地是一个苯基，可选地具有取代基，一个环己基等，R3和R4分别独立地是一个氢原子，一个卤原子，一个低碳基团，一个低碳氧基团等，X是由—OR5或—NHR6表示的残基，其中R5和R6是一个低碳基团，可选地具有取代基，一个芳基烷基团，可选地具有取代基等，一种含有该化合物作为配体的不对称过渡金属配合物以及使用该配合物作为不对称催化剂的光学活性化合物的生产方法。
• Copper-Catalyzed Coupling of Pyridines and Quinolines with Alkynes:  A One-Step, Asymmetric Route to Functionalized Heterocycles
  作者：Daniel A. Black、Ramsay E. Beveridge、Bruce A. Arndtsen

  DOI：10.1021/jo702293h

  日期：2008.3.1

  [GRAPHICS]A copper (I)-catalyzed, asymmetric method to directly functionalize pyridines, quinolines, and isoquinolines with terminal alkynes is described. The reaction is readily diversified to incorporate a range of pyridine-based heterocycles and electron-rich or electron-poor alkynes. This provides a straightforward alternative to nucleophilic or cross-coupling approaches to directly derivatize these heterocycles, and yields useful propargylcarbamates.