(S)-2-amino-1-(2-bromophenyl)ethanol | 1446512-69-1

• 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: (S)-2-amino-1-(2-bromophenyl)ethanol
• 英文别名: (1S)-2-amino-1-(2-bromophenyl)ethan-1-ol；(1S)-2-amino-1-(2-bromophenyl)ethanol
• CAS: 1446512-69-1
• 化学式: C₈H₁₀BrNO
• 分子量: 216.077
• InChiKey: LNRDJBNFUFLKON-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-2-amino-1-(2-bromophenyl)ethanol 在 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 四氯化碳 为溶剂， 反应 16.0h， 生成 (2E)-ethyl-3-(2-((S)-4,5-dihydro-2-methyloxazol-5-yl)phenyl)acrylate
  参考文献：
  名称：

  Asymmetric synthesis of 1,2,3-trisubstituted indanes via an enantioselective copper(II)-catalyzed asymmetric nitroaldol reaction followed by an intramolecular Michael cyclization

  摘要：

  Herein we describe a novel approach for the synthesis of a chiral 1,2,3-trisubstituted indane, a privileged substructure in medicinal chemistry, via an enantioselective nitroaldol reaction and subsequent intramolecular Michael addition. The asymmetric copper(II)-catalyzed reactions of ortho-formyl cinnamates, ortho-formyl cinnamonitrile, or ortho-formyl alpha-benzalketones with nitromethane were carried out using the C1-symmetric chiral secondary diamine L1 as a ligand, which afforded the nitroaldol products in high yields (up to 92%) and with good to excellent enantioselectivities (up to 97%) under mild conditions. The notable effect of the base and the dosage of nitromethane on the reaction are also discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.05.005
• 作为产物：
  描述：

  邻溴苯甲醛 在 盐酸 、 C₁₅H₂₈N₂ 、 copper(II) acetate monohydrate 、 N,N-二异丙基乙胺 、 锌 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 4.0h， 生成 (S)-2-amino-1-(2-bromophenyl)ethanol
  参考文献：
  名称：

  Asymmetric synthesis of 1,2,3-trisubstituted indanes via an enantioselective copper(II)-catalyzed asymmetric nitroaldol reaction followed by an intramolecular Michael cyclization

  摘要：

  Herein we describe a novel approach for the synthesis of a chiral 1,2,3-trisubstituted indane, a privileged substructure in medicinal chemistry, via an enantioselective nitroaldol reaction and subsequent intramolecular Michael addition. The asymmetric copper(II)-catalyzed reactions of ortho-formyl cinnamates, ortho-formyl cinnamonitrile, or ortho-formyl alpha-benzalketones with nitromethane were carried out using the C1-symmetric chiral secondary diamine L1 as a ligand, which afforded the nitroaldol products in high yields (up to 92%) and with good to excellent enantioselectivities (up to 97%) under mild conditions. The notable effect of the base and the dosage of nitromethane on the reaction are also discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.05.005

文献信息

• [EN] 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE SUMO INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE 4,5,6,7-TÉTRAHYDROTHIÉNO[2,3-C]PYRIDINE SUMO ET LEURS UTILISATIONS
  申请人：ONCOVALENT THERAPEUTICS INC

  公开号：WO2021150918A1

  公开（公告）日：2021-07-29

  The present invention relates to compounds and compositions capable of acting as inhibitors of small ubiquitin-like modifier (SUMO) family of proteins. The compounds and compositions may be used in the treatment of cancer. There are disclosed, inter alia, methods of inhibiting an E1 enzyme, and compounds useful for inhibiting an E1 enzyme.

  本发明涉及能够作为小泛素样修饰物（SUMO）蛋白抑制剂的化合物和组合物。这些化合物和组合物可用于癌症的治疗。其中披露了抑制E1酶的方法，以及用于抑制E1酶的化合物。
• Boron-Containing Small Molecules
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：US20180016285A1

  公开（公告）日：2018-01-18

  This invention provides, among other things, novel compounds useful for treating bacterial infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent.
• US9796735B2
  申请人：——

  公开号：US9796735B2

  公开（公告）日：2017-10-24
• Asymmetric synthesis of 1,2,3-trisubstituted indanes via an enantioselective copper(II)-catalyzed asymmetric nitroaldol reaction followed by an intramolecular Michael cyclization
  作者：Hongling Yuan、Junhao Hu、Yuefa Gong

  DOI：10.1016/j.tetasy.2013.05.005

  日期：2013.6

  Herein we describe a novel approach for the synthesis of a chiral 1,2,3-trisubstituted indane, a privileged substructure in medicinal chemistry, via an enantioselective nitroaldol reaction and subsequent intramolecular Michael addition. The asymmetric copper(II)-catalyzed reactions of ortho-formyl cinnamates, ortho-formyl cinnamonitrile, or ortho-formyl alpha-benzalketones with nitromethane were carried out using the C1-symmetric chiral secondary diamine L1 as a ligand, which afforded the nitroaldol products in high yields (up to 92%) and with good to excellent enantioselectivities (up to 97%) under mild conditions. The notable effect of the base and the dosage of nitromethane on the reaction are also discussed. (C) 2013 Elsevier Ltd. All rights reserved.