4-[3-(三氟甲基)苯基]丁烷-2-胺 | 73839-94-8

• 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-[3-(三氟甲基)苯基]丁烷-2-胺
• 英文名称: 3-(trifluoromethyl)-α-methylbenzenepropanamine
• 英文别名: 4-(3-(trifluoromethyl)phenyl)butan-2-amine；1-Methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)propylamine；4-[3-(trifluoromethyl)phenyl]butan-2-amine
• CAS: 73839-94-8
• 化学式: C₁₁H₁₄F₃N
• mdl: MFCD01694844
• 分子量: 217.234
• InChiKey: QPVLCHKIGUQAOL-UHFFFAOYSA-N

物化性质

• 沸点：
  236.0±40.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R,S)-cyanopyridiloxymethyloxirane 、 4-[3-(三氟甲基)苯基]丁烷-2-胺 以24%的产率得到
  参考文献：
  名称：

  MCCLURE, D. E.;BALDWIN, J. J.;RANDALL, W. C.;LYON, TH. F.;MENSLER, K.;LUN+, J. MED. CHEM., 1983, 26, N 5, 649-657

  摘要：

  DOI：

文献信息

• Antihypertensive .beta.-adrenergic blocking agents: N-aralkyl analogs of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanopyridine
  作者：David E. McClure、John J. Baldwin、William C. Randall、Thomas F. Lyon、K. Mensler、G. F. Lundell、A. W. Raab、Dennis Gross、Edwin A. Risley

  DOI：10.1021/jm00359a006

  日期：1983.5

  dogs exhibited antihypertensive activity and alpha 1-adrenoceptor blocking properties. Unlike the preference shown by beta-adrenoceptors for S enantiomers in this oxymethylene class of beta blockers, the chirality at the secondary hydroxy center made only a minor contribution to the affinity for the alpha 1-adrenoceptor and even less of a contribution to the observed antihypertensive effects. This lack

  对双效降压药的兴趣，特别是与（S）-2- [3-（叔丁基氨基）-2-羟基丙氧基] -3-氰基吡啶（1）相关的降压药，使我们探究了降压药的作用。该系列中的链氨基取代基。通过受体结合技术评估了1及其各种类似物取代放射性标记的α1（WB-4101和prazosin）和β（二氢普萘洛尔）肾上腺素能受体配体的能力。大多数化合物表现出高的β-肾上腺素受体结合亲和力，但是只有N-芳烷基氨基取代的化合物表现出高的α1-肾上腺素受体亲和力。因此，由1所示的血管舒张不是由于与α1肾上腺素受体的相互作用。自发性高血压大鼠和麻醉犬中的1的芳烷基氨基类似物具有降压活性和α1-肾上腺素受体阻滞特性。与该甲醛类的β-受体阻滞剂中S-对映体对S对映体的偏爱不同，仲羟基中心的手性仅对α1-肾上腺素受体的亲和力有很小的贡献，而对所观察到的抗高血压药的贡献更小效果。在羟基中心缺乏手性的影响证实了以前在拉贝洛尔和美多洛尔的异构体
• Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions
  申请人：MERLA Beatrix

  公开号：US20090186902A1

  公开（公告）日：2009-07-23

  Substituted tetrahydroimidazopyridine compounds corresponding to formula I: in which R 1 , R 2 and R 3 have defined meanings, processes for preparing such compounds, pharmaceutical compositions containing such compounds, and the use of such compounds for treating or inhibiting pain, epilepsy, migraine, anxiety or urinary incontinence.

  对应于以下公式I的替代四氢咪唑吡啶化合物：其中R1，R2和R3具有定义的含义，制备这种化合物的方法，含有这种化合物的药物组合物，以及利用这种化合物治疗或抑制疼痛、癫痫、偏头痛、焦虑或尿失禁的用途。
• Novel aminotransferase, gene encoding the same, and method of using them
  申请人：Ito Noriyuki

  公开号：US20100285544A1

  公开（公告）日：2010-11-11

  The invention relates to a novel aminotransferase, DNA encoding the enzyme, a recombinant vector into which the DNA has been introduced, and a transformant into which the vector has been introduced. Further, the invention also relates to a method for producing an optically active amino compound utilizing the enzyme or transformant. The aminotransferase of the invention has an ability of efficiently converting a ketone compound, particularly a cyclic ketone compound to an optically active amino compound. According to the invention, a method for efficiently producing an optically active amino compound, particularly an optically active cyclic amino compound is provided.

  本发明涉及一种新型氨基转移酶、编码该酶的DNA、已引入该DNA的重组载体以及已引入该载体的转化菌株。此外，本发明还涉及一种利用该酶或转化菌株生产光学活性氨基化合物的方法。本发明的氨基转移酶能够高效地将酮类化合物，尤其是环状酮类化合物转化为光学活性氨基化合物。根据本发明，提供了一种高效生产光学活性氨基化合物，尤其是光学活性环状氨基化合物的方法。
• NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM
  申请人：ITO NORIYUKI

  公开号：US20120164724A1

  公开（公告）日：2012-06-28

  The invention relates to a novel aminotransferase, DNA encoding the enzyme, a recombinant vector into which the DNA has been introduced, and a transformant into which the vector has been introduced. Further, the invention also relates to a method for producing an optically active amino compound utilizing the enzyme or transformant. The aminotransferase of the invention has an ability of efficiently converting a ketone compound, particularly a cyclic ketone compound to an optically active amino compound. According to the invention, a method for efficiently producing an optically active amino compound, particularly an optically active cyclic amino compound is provided.

  本发明涉及一种新型氨基转移酶、编码该酶的DNA、将该DNA引入的重组载体以及将该载体引入的转化体。此外，本发明还涉及利用该酶或转化体生产光学活性氨基化合物的方法。本发明中的氨基转移酶能够有效地将酮化合物，特别是环状酮化合物转化为光学活性氨基化合物。根据本发明，提供了一种有效生产光学活性氨基化合物，特别是光学活性环状氨基化合物的方法。
• NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME
  申请人：Kaneka Corporation

  公开号：EP1889907A1

  公开（公告）日：2008-02-20

  The invention relates to a novel aminotransferase, DNA encoding the enzyme, a recombinant vector into which the DNA has been introduced, and a transformant into which the vector has been introduced. Further, the invention also relates to a method for producing an optically active amino compound utilizing the enzyme or transformant. The aminotransferase of the invention has an ability of efficiently converting a ketone compound, particularly a cyclic ketone compound to an optically active amino compound. According to the invention, a method for efficiently producing an optically active amino compound, particularly an optically active cyclic amino compound is provided.

  本发明涉及一种新型氨基转移酶、编码该酶的 DNA、导入该 DNA 的重组载体以及导入该载体的转化体。此外，本发明还涉及一种利用该酶或转化体生产光学活性氨基化合物的方法。本发明的氨基转移酶具有将酮化合物，特别是环酮化合物有效转化为光学活性氨基化合物的能力。根据本发明，提供了一种高效生产光学活性氨基化合物，特别是光学活性环状氨基化合物的方法。