1-Chlor-2-<2-dimethylamino-aethyl>-benzol | 27958-90-3

• 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-Chlor-2-<2-dimethylamino-aethyl>-benzol
• 英文别名: 1-Chlor-2-(2-dimethylamino-aethyl)-benzol；2-(2-Chlorophenyl)-N,N-dimethylethanamine
• CAS: 27958-90-3
• 化学式: C₁₀H₁₄ClN
• 分子量: 183.681
• InChiKey: NCJUMHFWIRWDBF-UHFFFAOYSA-N

物化性质

• 沸点：
  240.9±23.0 °C(Predicted)
• 密度：
  1.052±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Chlor-2-<2-dimethylamino-aethyl>-benzol 、 silver(I) 4-methylbenzenesulfonate 、 4-甲氧基氯苄 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Ion Pair-Directed C–H Activation on Flexible Ammonium Salts:meta-Selective Borylation of Quaternized Phenethylamines and Phenylpropylamines

  摘要：

  Ion pairing has unexplored potential as a key catalyst-substrate interaction for controlling regioselectivity and site-selectivity in transition metal catalysis, particularly in the area of C-H activation. However, there is a significant perceived challenge that has meant that few have investigated this approach to date-that of the low directionality, which could present an unsurmountable challenge if seeking positional selectivity on flexible substrates. Herein, we demonstrate that even flexible substrates with several freely rotatable bonds undergo ion pair-directed C-H borylation with good to excellent levels of regiocontrol for the arene meta-position. Furthermore, we demonstrate that in specially designed competition substrates, ion pair direction prevails over competing hydrogen bond direction. We anticipate that these findings will inspire the greater incorporation of ion-pairing into site-selective catalytic strategies.

  DOI：

  10.1021/acscatal.8b00423
• 作为产物：
  描述：

  邻氯氯苄 在 potassium iodide 作用下， 以 六甲基磷酰三胺 、 丙酮 为溶剂， 反应 25.0h， 生成 1-Chlor-2-<2-dimethylamino-aethyl>-benzol
  参考文献：
  名称：

  从苄基卤化物方便地合成邻甲基苄胺衍生物：改进的Sommelet-Hauser重排

  摘要：

  由具有氯苄基二甲基（三甲基甲硅烷）卤化铵的氟阴离子脱甲硅烷基-，CN - ，或ACO -在苯环上的取代基，得到Sommelet-Hauser重排反应产物在室温下的高的产率。

  DOI：

  10.1039/c39850001684

文献信息

• Structure–activity correlations for β-phenethylamines at human trace amine receptor 1
  作者：Anita H. Lewin、Hernán A. Navarro、S. Wayne Mascarella

  DOI：10.1016/j.bmc.2008.06.009

  日期：2008.8

  A cell line in which RD-HGA16 cells were stably transfected with the hTAAR 1 receptor was created and utilized to carry out a systematic evaluation of a series of beta-phenethylamines. Fair agreement was observed with data obtained for aryl and ethylene chain substituted analogs in an AV12-664 cell line in which hemagglutinin-tagged hTAAR 1 was stably co-expressed with rat Gas. Analogs with multiple substituents as well as analogs with bulky groups were found to be partial agonists. Analogs in which the primary amino group was converted to a secondary or a tertiary amino group by N-methylation were also partial agonists. Comparative Molecular Field Analysis (CoMFA) using the potency data yielded a regression coefficient r(2) of 0.824. The steric field contribution to the model was 61% with the balance (39%) contributed by the electrostatic field. The collective results suggest that increasing steric bulk both at the amino nitrogen, particularly by N-dimethylation, and at the 4-position of the aromatic ring leads to low efficacy ligands. (C) 2008 Elsevier Ltd. All rights reserved.
• Rearrangement of (substituted benzyl)trimethylammonium ylides in a nonbasic medium: the improved Sommelet-Hauser rearrangement
  作者：Mitsuji Nakano、Yoshiro Sato

  DOI：10.1021/jo00385a035

  日期：1987.5
• NAKANO, MITSUJI;SATO, YOSHIRO, J. CHEM. SOC. CHEM. COMMUN., 1985, N 23, 1684-1685
  作者：NAKANO, MITSUJI、SATO, YOSHIRO

  DOI：——

  日期：——
• NAKANO MITSUJI; SATO YOSHIRO, J. ORG. CHEM., 52,(1987) N 9, 1844-1847
  作者：NAKANO MITSUJI、 SATO YOSHIRO

  DOI：——

  日期：——
• Functional Composition, and Method for Improvement in Detachability of Wet Paper Using the Same
  申请人：Sekiya Hiroshi

  公开号：US20090159229A1

  公开（公告）日：2009-06-25

  [Problems] To provide a functional composition enable a stale paper production by being applied onto a press roll, and a method for improvement of detachability using the same. [Solutions] The present invention relates to a functional composition used by being applied onto a press roll for dehydration of a wet paper, comprising a compound expressed by the following general formula (1): STR wherein R represents an organic group which may have a substituent or a hydrogen atom, p and r each independently represent an integer of 0 to 228, and q represents an integer of 0 to 69, provided that p, q and r do not represent 0 simultaneously.