4-氟-N,N,2-三甲基苯胺 | 35122-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氟-N,N,2-三甲基苯胺
• 英文名称: 2-Methyl-4-fluor-N.N-dimethylanilin
• 英文别名: N,N-Dimethyl-2-methyl-4-fluor-anilin；4-fluoro-N,N,2-trimethylaniline
• CAS: 35122-83-9
• 化学式: C₉H₁₂FN
• mdl: MFCD09834428
• 分子量: 153.199
• InChiKey: XCGOAKAAORSAPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2921430090

反应信息

• 作为反应物：
  描述：

  4-氟-N,N,2-三甲基苯胺 、 二苯基乙炔 在 C₃₁H₅₁N₂ScSi₂ 、 三苯碳四(五氟苯基)硼酸盐 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以88%的产率得到(Z)-2-(2,3-diphenylallyl)-4-fluoro-N,N-dimethylaniline
  参考文献：
  名称：

  钪催化的苄基 C(sp3)-H 烯基化叔苯胺与炔烃

  摘要：

  这项工作描述了使用简单的 β-二酮亚氨基钪催化剂对叔邻甲基苯胺与内部炔烃进行化学和立体选择性苄基 C(sp 3 )-H 烯基化。该协议提供了一种高效的方法，用于以高产率合成一个新的叔邻-烯丙基苯胺家族。所得的烯基化产物很容易经历进一步的化学转化为其他有价值的苯胺。从化学计量反应中分离出一种阳离子钪苄基物质，并证实它是催化中间体。

  DOI：

  10.1021/acs.orglett.2c01329
• 作为产物：
  描述：

  4-氟-2-甲基苯胺 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 4-氟-N,N,2-三甲基苯胺
  参考文献：
  名称：

  4-Fluoroanilines: synthesis and decomposition

  摘要：

  Fourteen N- and/or 2-substituted 4-fluoroanilines were prepared (the series includes N-C2-bridged compounds), Some of them were found to be thermally unstable when dissolved in chloroform. Both F-19 NMR spectra and comparison of GIAO-DFT calculated and experimental C-13 chemical shifts were used to suggest decomposition products of 4-fluoroanilines. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00401-8

文献信息

• Benzylic C–H addition of aromatic amines to alkenes using a scandium catalyst
  作者：Jianhong Su、Yuncong Luo、Xin Xu

  DOI：10.1039/d1cc00306b

  日期：——

  An efficient and selective benzylic C(sp3)–H addition of o-CH3-substituted tertiary aromatic amines to alkenes has been achieved using an anilido-oxazoline ligand supported scandium catalyst, which provides an atom-economic method for the synthesis of a new family of alkylated tertiary anilines. A wide range of amine and alkene substrates are compatible with the catalyst system.

  使用苯胺-恶唑啉配体负载的catalyst催化剂已实现了将邻-CH 3取代的叔芳族胺有效和选择性地用苄基C（sp 3）-H加成烯烃的方法，该催化剂为合成α-烯烃提供了一种原子经济的方法。烷基化叔苯胺的新家族。各种各样的胺和烯烃底物与催化剂体系相容。
• The Effect of Basic Ligands and Alkenes on the Regioselectivity of C−H Additions of Tertiary Amines to Alkenes
  作者：Da Li、Yuji Wang、Shiyu Wang、Shunxi Dong

  DOI：10.1002/chem.202401014

  日期：——

  Highly regioselective C−H alkylation reactions of several types of tertiary amines with alkenes have been achieved by the use of imidazolin-2-iminato scandium(III) alkyl complexes. The basic ligand, a coordinating THF in the catalyst and the substitution of alkene substrates enabled to switch the regioselectivity of the C−H alkylation reactions of tertiary anilines.

  通过使用咪唑啉-2-亚胺钪(III)烷基配合物，实现了几种叔胺与烯烃的高度区域选择性CH烷基化反应。碱性配体、催化剂中的配位THF和烯烃底物的取代能够改变叔苯胺的CH烷基化反应的区域选择性。
• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow Agrosciences LLC

  公开号：EP3283459B1

  公开（公告）日：2019-05-22
• NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS
  申请人：Wu Tongfei

  公开号：US20120135981A1

  公开（公告）日：2012-05-31

  The present invention is concerned with novel substituted triazole and imidazole derivatives of Formula (I) wherein R 1 , R 2 , A 1 , A 2 , A 3 , A 4 , X, and Het 1 have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.
• US8946266B2
  申请人：——

  公开号：US8946266B2

  公开（公告）日：2015-02-03