1-[3-[1-(dimethylamino)propyl]phenyl]-N,N-dimethylpropan-1-amine | 204335-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[3-[1-(dimethylamino)propyl]phenyl]-N,N-dimethylpropan-1-amine
• CAS: 204335-61-5
• 化学式: C₁₆H₂₈N₂
• 分子量: 248.412
• InChiKey: QPTYRHGIMRJLGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[3-[1-(dimethylamino)propyl]phenyl]-N,N-dimethylpropan-1-amine 在 正丁基锂 作用下， 生成
  参考文献：
  名称：

  Formation of mixed aryl–, alkyl–lithium aggregates in the heteroatom assisted lithiation of α,α′-dialkyl substituted 1,3-bis[(dimethylamino)methyl]benzene1These results were presented in part at the Symposium `Frontiers in Organometallic Chemistry' at the Spring 1997 American Chemical Society meeting in San Francisco.12Dedicated to Prof. Ken Wade on the occasion of his 65th birthday, thanking him for his `rules', discussions and long friendship.2

  摘要：

  The heteroatom assisted lithiation of 1,3-bis[1-(dimethylamino)ethyl]benzene with n-BuLi afforded 2,6-bis[1-(dimethylamino)ethyl]phenyllithium. An X-ray crystal structure determination revealed a dimeric aggregate in which the four benzylic chiral centers are identical, pointing to stereoselective crystallization. In contrast, reaction of 1,3-bis[1-(dimethylamino)propyl]benzene with n-BuLi afforded a dimeric aggregate comprising the parent lithiated compound and n-BuLi in a 1:1 molar ratio. The four Li atoms and the four bridging carbon atoms are arranged in a unique ladder-type C-Li-2-C-2'-Li-2-C framework. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00554-8
• 作为产物：
  描述：

  1,3-dipropionyl-benzene 在 lithium aluminium tetrahydride 作用下， 生成 1-[3-[1-(dimethylamino)propyl]phenyl]-N,N-dimethylpropan-1-amine
  参考文献：
  名称：

  Formation of mixed aryl–, alkyl–lithium aggregates in the heteroatom assisted lithiation of α,α′-dialkyl substituted 1,3-bis[(dimethylamino)methyl]benzene1These results were presented in part at the Symposium `Frontiers in Organometallic Chemistry' at the Spring 1997 American Chemical Society meeting in San Francisco.12Dedicated to Prof. Ken Wade on the occasion of his 65th birthday, thanking him for his `rules', discussions and long friendship.2

  摘要：

  The heteroatom assisted lithiation of 1,3-bis[1-(dimethylamino)ethyl]benzene with n-BuLi afforded 2,6-bis[1-(dimethylamino)ethyl]phenyllithium. An X-ray crystal structure determination revealed a dimeric aggregate in which the four benzylic chiral centers are identical, pointing to stereoselective crystallization. In contrast, reaction of 1,3-bis[1-(dimethylamino)propyl]benzene with n-BuLi afforded a dimeric aggregate comprising the parent lithiated compound and n-BuLi in a 1:1 molar ratio. The four Li atoms and the four bridging carbon atoms are arranged in a unique ladder-type C-Li-2-C-2'-Li-2-C framework. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00554-8

文献信息

• PROCESSES FOR MOISTURE SCAVENGING IN PREPARING POLYURETHANE COATINGS AND COMPOSITIONS THEREFOR
  申请人：Achiewell, LLC

  公开号：US20170114247A1

  公开（公告）日：2017-04-27

  Methoxyorganosilicon compounds having an electron withdrawing group on the silicon atom in combination with tertiary methylamine catalysts having hydrophobic substituents can effectively, even at ambient temperatures, reduce water content in polyurethane coating compositions by catalytic transalkylation to produce methanol and a hydroxy group on the silicone compound without unduly adversely affecting the polyurethane coating.