tert-Butyl-[2-(4-methoxy-phenyl)-1-methyl-ethyl]-amine

• 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: tert-Butyl-[2-(4-methoxy-phenyl)-1-methyl-ethyl]-amine
• 英文别名: N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpropan-2-amine
• 化学式: C₁₄H₂₃NO
• 分子量: 221.343
• InChiKey: ABCFLSIMXWYHGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲氧基苯丙炔 、 叔丁胺 在 Ind₂TiMe₂ sodium cyanoborohydride 、 zinc(II) chloride 作用下， 以 甲苯 、 甲醇 为溶剂， 反应 25.0h， 以70%的产率得到tert-Butyl-[2-(4-methoxy-phenyl)-1-methyl-ethyl]-amine
  参考文献：
  名称：

  Regioselective Preparation of 2-Phenylethylamines from 1-Phenyl-2-alkyl­alkynes by Hydroamination/Reduction Sequences

  摘要：

  Ind2TiMe2 是炔烃分子间氢化反应的高活性通用催化剂。尤其令人印象深刻的是，Ind2TiMe2 能够以高度区域选择性的方式使不对称取代的 1-苯基-2-烷基炔与伯芳基、叔烷基、仲烷基和正烷基胺发生氢化反应。由于最初形成的亚胺可以很容易地用锌改性的 NaBH3CN 还原，因此可以在 10 毫摩尔的规模上通过可靠的一锅法从 1-苯基-2-烷基炔和伯胺中获得 2-苯基乙胺。

  DOI：

  10.1055/s-2004-834863

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION
  申请人：Cellix Bio Private Limited

  公开号：US20220048850A1

  公开（公告）日：2022-02-17

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, intravenous, spray, parenteral, lozenge, solution, syrup, sachet, transdermal administration, or injection. Such compositions may be used to treatment of inflammation or its associated complications.

  本文披露了I式化合物及其药物可接受的盐，以及其多晶形、对映异构体、立体异构体、溶剂化物和水合物。这些化合物可以制成药物组合物。药物组合物可以制成口服、静脉注射、喷雾、注射、含片、溶液、糖浆、小包装、经皮给药等药物形式。这些组合物可以用于治疗炎症或其相关并发症。
• Compositions and methods for the treatment of inflammation
  申请人：Cellix Bio Private Limited

  公开号：US10774059B2

  公开（公告）日：2020-09-15

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, intravenous, spray, parenteral, lozenge, solution, syrup, sachet, transdermal administration, or injection. Such compositions may be used to treatment of inflammation or its associated complications.

  本文公开了式 I 化合物或其药物可接受盐，以及它们的多晶型物、对映体、立体异构体、溶液和水合物。这些化合物可配制成药物组合物。这些药物组合物可配制成口服、静脉注射、喷雾、肠外、锭剂、溶液、糖浆、袋装、透皮给药或注射剂。此类组合物可用于治疗炎症或其相关并发症。
• Compositions and methods for the treatment of irritable bowel syndrome
  申请人：CELLIX BIO PRIVATE LIMITED

  公开号：US11078154B2

  公开（公告）日：2021-08-03

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, suppository, transdermal, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of irritable bowel syndrome (IBS), inflammatory bowel diseases or its associated complications.

  本文公开的化合物为式 I 或其药用盐，以及它们的多晶型物、对映体、立体异构体、溶解物和水合物。这些盐类可配制成药物组合物。这些药物组合物可配制成口服、栓剂、透皮、口腔、直肠、局部、透皮、透粘膜、静脉注射、肠外给药、糖浆或注射剂。此类组合物可用于治疗肠易激综合征（IBS）、炎症性肠病或其相关并发症。
• Compositions and methods for the treatment of gastrointestinal polyps
  申请人：CELLIX BIO PRIVATE LIMITED

  公开号：US11225464B2

  公开（公告）日：2022-01-18

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V and formula VI or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, lozenge, spray, intravenous, oral solution, buccal mucosal layer tablet, parenteral administration, syrup, or injection. Such compositions may be used to treatment of gastrointestinal polyps or its associated complications.

  本文公开了式 I、式 II、式 III、式 IV、式 V 和式 VI 的化合物或其药物可接受盐，以及它们的多晶型物、对映体、立体异构体、溶液和水合物。这些盐类可配制成药物组合物。这些药物组合物可配制成口服、口腔、直肠、局部、透皮、透粘膜、锭剂、喷雾剂、静脉注射、口服溶液、颊粘膜层片剂、肠外给药、糖浆或注射剂。此类组合物可用于治疗胃肠道息肉或其相关并发症。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME
  申请人：CELLIX BIO PRIVATE LIMITED

  公开号：US20190177267A1

  公开（公告）日：2019-06-13

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V, formula VI, formula VII, formula VIII, formula IX, formula X, formula XI, formula XII, formula XIII, formula XIV and formula XV or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, suppository, transdermal, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of irritable bowel syndrome (IBS), inflammatory bowel diseases or its associated complications.