(3aR,7aS)-2-(2-hydroxyethyl)-octahydro-1H-isoindole-1,3-dione | 115610-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (3aR,7aS)-2-(2-hydroxyethyl)-octahydro-1H-isoindole-1,3-dione
• 英文别名: 2-(2-hydroxy-ethyl)-(3ar,7ac)-hexahydro-isoindole-1,3-dione；2-(2-Hydroxy-aethyl)-(3ar,7ac)-hexahydro-isoindol-1,3-dion；(3aR,7aS)-2-(2-hydroxyethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
• CAS: 115610-20-3
• 化学式: C₁₀H₁₅NO₃
• 分子量: 197.234
• InChiKey: OTIMBIMMWQMEON-OCAPTIKFSA-N

物化性质

• 沸点：
  398.2±25.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3aR,7aS)-2-(2-hydroxyethyl)-octahydro-1H-isoindole-1,3-dione 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-((3ar,7ac)-octahydroisoindol-2-yl)-ethanol
  参考文献：
  名称：

  Estrogen receptor ligands. Part 7: Dihydrobenzoxathiin SERAMs with bicyclic amine side chains

  摘要：

  A series of benzoxathiin SERAMs with bicyclic amine side chains was prepared. Minor modifications in the side chain resulted in significant effects or, biological activity, especially in uterine tissue. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.074
• 作为产物：
  描述：

  N-羟乙基酞酰亚胺 在 kieselguhr 、 镍 、 正丁醇 作用下， 165.0 ℃ 、19.61 MPa 条件下， 生成 (3aR,7aS)-2-(2-hydroxyethyl)-octahydro-1H-isoindole-1,3-dione 、 2-(2-hydroxyethyl)-1-isoindolinone
  参考文献：
  名称：

  DE954598

  摘要：

  公开号：

文献信息

• (Hetero)aroyl esters of 2-(N-phthalimido)ethanol and analogues: parallel synthesis, anti-HIV-1 activity and cytotoxicity
  作者：Sara Cesarini、Andrea Spallarossa、Angelo Ranise、Silvia Schenone、Paolo La Colla、Gabriella Collu、Giuseppina Sanna、Roberta Loddo

  DOI：10.1007/s00044-009-9192-x

  日期：2010.5

  The structural simplification of the non-nucleoside reverse transcriptase inhibitors (NNRTIs) O-(2-phthalimidoethyl)-N-(hetero)aroyl-N-arylthiocarbamates led us to design (hetero)aroyl esters of 2-(N-phthalimido)ethanol as a potential new class of anti-HIV-1 agents. The setup of a solution-phase parallel synthesis method allowed the rapid preparation of a high number of analogues. In cell-based assays, 20 of 34 esters showed anti-HIV-1 activity ranging from nanomolar to micromolar concentrations. The most potent esters had only a minor effect or were ineffective in enzyme assay against HIV-1 reverse transcriptase. Variations on the O-(2-phthalimidoethyl) moiety led to compounds devoid of antiretroviral activity, but cytotoxic, in particular those bearing the 4-chloro-3-nitrobenzoyl moiety. The most cytotoxic compound displayed a CC50 value of 1.6 mu M.
• Estrogen receptor ligands. Part 7: Dihydrobenzoxathiin SERAMs with bicyclic amine side chains
  作者：Timothy A Blizzard、Frank DiNinno、Jerry D Morgan、Helen Y Chen、Jane Y Wu、Candido Gude、Seongkon Kim、Wanda Chan、Elizabeth T Birzin、Yi Tien Yang、Lee-Yuh Pai、Zhoupeng Zhang、Edward C Hayes、Carolyn A DaSilva、Wei Tang、Susan P Rohrer、James M Schaeffer、Milton L Hammond

  DOI：10.1016/j.bmcl.2004.05.074

  日期：2004.8

  A series of benzoxathiin SERAMs with bicyclic amine side chains was prepared. Minor modifications in the side chain resulted in significant effects or, biological activity, especially in uterine tissue. (C) 2004 Elsevier Ltd. All rights reserved.
• DE954598
  申请人：——

  公开号：——

  公开（公告）日：——