N-(1-phenylethyl)but-3-en-1-amine | 304659-46-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(1-phenylethyl)but-3-en-1-amine
• CAS: 304659-46-9
• 化学式: C₁₂H₁₇N
• 分子量: 175.274
• InChiKey: BXQDWPXPKVWDGU-UHFFFAOYSA-N

物化性质

• 沸点：
  243.6±19.0 °C(Predicted)
• 密度：
  0.908±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(1-phenylethyl)but-3-en-1-amine 在 劳森试剂 、 吡啶 、 4-二甲氨基吡啶 作用下， 以 甲基叔丁基醚 为溶剂， 反应 139.0h， 生成
  参考文献：
  名称：

  Ti-mediated intramolecular cyclopropanation of N-alkenyl thioamides: scope and mechanistic study

  摘要：

  Although thioamides generally undergo a reductive alkylation process when they are treated with a Grignard reagent in the presence of Ti(OiPr)(4), substrates fitted with a but-3-enyl substitution at the nitrogen atom are shown to be converted into bicyclic aminocyclopropanes. These reactions are compared with the similar cyclisations of the corresponding carboxylic amide substrates. A mechanistic study is provided. Coincidently, new reagent systems are identified for the mediation of the same transformation. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.006
• 作为产物：
  描述：

  4-methanesulfonyloxy-1-butene 、 α-苯乙胺 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以3.19 g的产率得到N-(1-phenylethyl)but-3-en-1-amine
  参考文献：
  名称：

  Ti-mediated intramolecular cyclopropanation of N-alkenyl thioamides: scope and mechanistic study

  摘要：

  Although thioamides generally undergo a reductive alkylation process when they are treated with a Grignard reagent in the presence of Ti(OiPr)(4), substrates fitted with a but-3-enyl substitution at the nitrogen atom are shown to be converted into bicyclic aminocyclopropanes. These reactions are compared with the similar cyclisations of the corresponding carboxylic amide substrates. A mechanistic study is provided. Coincidently, new reagent systems are identified for the mediation of the same transformation. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.006

文献信息

• [EN] 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE 3-(5-MÉTHOXY-1-OXOISOINDOLIN-2-YL)PIPÉRIDINE-2,6-DIONE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2021124172A1

  公开（公告）日：2021-06-24

  The present disclosure relates to compounds of formula (I') and pharmaceutical compositions and their use in reducing Widely Interspaced Zinc Finger Motifs (WIZ) expression levels, or inducing fetal hemoglobin (HbF) expression, and in the treatment of inherited blood disorders (e.g., hemoglobinopathies, e.g., beta-hemoglobinopathies), such as sickle cell disease and beta-thalassemia.

  本公开涉及式(I')的化合物、药物组合物及其在降低广泛间隔锌指蛋白结构域（WIZ）表达水平、诱导胎儿血红蛋白（HbF）表达以及治疗遗传性血液疾病（例如，血红蛋白病，例如，β-血红蛋白病）方面的用途，如镰状细胞病和β-地中海贫血。
• Thrombin inhibitors
  申请人：——

  公开号：US20040073025A1

  公开（公告）日：2004-04-15

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure Formula (I): wherein u is CH or N; Q is 1)—N(R 25 )CH(R 30 )—wherein the nitrogen atom is attached to R 1 , and R 25 and R 30 are independently selected from the group consisting of hydrogen, C 3-6 cycloalkyl, and C 1-6 alkyl, or 2) wherein the nitrogen atom is attached to R 1 , and m is 0, 1, or 2. 1

  本发明的化合物在抑制凝血酶和相关的血栓闭塞方面具有有用的结构式（I），其中u为CH或N；Q为1）-N（R25）CH（R30）-，其中氮原子连接到R1，且R25和R30分别选自氢，C3-6环烷基和C1-6烷基的群组，或2）其中氮原子连接到R1，且m为0，1或2.1。
• ISOQUINOLINONE DERIVATIVES
  申请人：BROUGH Stephen John

  公开号：US20100099665A1

  公开（公告）日：2010-04-22

  The present invention relates to isoquinolinone derivatives of formula (I): wherein are as herein defined; processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明涉及式(I)的异喹啉酮衍生物，其中定义如下；制备它们的方法，含有它们的制药组合物以及它们在治疗中的应用。
• Inhibitors of IAP
  申请人：Novartis AG

  公开号：EP2065368A1

  公开（公告）日：2009-06-03

  Novel compounds that inhibit the binding of the Smac protein to Inhibitor of Apoptosis Proteins (IAPs) of the formula I

  抑制 Smac 蛋白与式 I 的细胞凋亡抑制蛋白（IAPs）结合的新型化合物
• Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists
  作者：Rong Jiang、Xinyi Song、Purva Bali、Anthony Smith、Claudia Ruiz Bayona、Li Lin、Michael D. Cameron、Patricia H. McDonald、Paul J. Kenny、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2012.04.122

  日期：2012.6

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.