trans-2-oxahydrindane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 英文名称: trans-2-oxahydrindane
• 英文别名: (3As,7As)-Octahydro-2-benzofuran；(3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: HGQBCKVFVUCIML-HTQZYQBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trans-2-oxahydrindane 在 氢溴酸 作用下， 生成 反-(1,2-二溴甲基)环己烷
  参考文献：
  名称：

  Saturated 5-membered ring conformations. 2—1H NMR study of protonatedN-methylpyrrolidines

  摘要：

  AbstractThe 1H NMR spectra of the protonated and unprotonated forms of cis‐ and trans‐N‐methylhexahydroisoindoline, of 1,3,3,4,4‐pentamethylpyrrolidine and of 1,3,3‐trimethylpyrrolidine were analyzed. The coupling constants between the NH⊕ and the CH protons α to the nitrogen allowed the study of the conformation of the cyclic systems in pseudorotation.

  DOI：

  10.1002/mrc.1270160205
• 作为产物：
  描述：

  邻苯二甲酸二甲酯 在 吡啶 、 甲醇 、 氢氧化钾 、 lithium aluminium tetrahydride 、 乙醚 、 镍 作用下， 50.0~60.0 ℃ 、9.81 MPa 条件下， 生成 trans-2-oxahydrindane
  参考文献：
  名称：

  80.脂环族二醇。第九部分 1：3-二羟甲基环己烷

  摘要：

  DOI：

  10.1039/jr9530000399

文献信息

• Benzothiophene estrogen receptor modulators
  申请人：G1 Therapeutics, Inc.

  公开号：US10208011B2

  公开（公告）日：2019-02-19

  This invention is a benzothiophene estrogen receptor modulator or its pharmaceutically acceptable salt or a pharmaceutically acceptable composition thereof to treat an estrogen-related medical disorder.

  本发明是一种苯并噻吩雌激素受体调节剂或其药学上可接受的盐或其药学上可接受的组合物，用于治疗与雌激素相关的疾病。
• Kechayan, Josette; Lauricella, Robert; Davidovics, Gisele, Bulletin de la Societe Chimique de France, 1989, # 4, p. 559 - 565
  作者：Kechayan, Josette、Lauricella, Robert、Davidovics, Gisele、Bodot, Hubert

  DOI：——

  日期：——
• PREPARATION AND PHYSICAL PROPERTIES OF SULFUR COMPOUNDS RELATED TO PETROLEUM. IV. cis- AND trans-2-THIAHYDRINDAN AND 2-THIADECALIN
  作者：STANLEY F. BIRCH、RONALD A. DEAN、EDMUND V. WHITEHEAD

  DOI：10.1021/jo01374a007

  日期：1954.9
• Reduction of cis-bicyclo[4.3.0]non-3-ene and its 8-substituted heterocyclic analogs
  作者：Bradford P. Mundy、John J. Theodore

  DOI：10.1021/ja00526a041

  日期：1980.3
• Conformational equilibrium in 8-methyl-cis-2-thiahydrindane and 8-methyl-cis-2-oxahydrindane by13C NMR spectroscopy
  作者：Rodney L. Willer

  DOI：10.1002/mrc.1270160403

  日期：1981.8

  AbstractThe preferred conformation of 8‐methyl‐cis‐thiahydrindane has been both estimated by 13C NMR chemical shifts and determined by low temperature 13C NMR spectroscopy to be the conformer with the methyl group equatorial with respect to the cyclohexane ring. This result is in disagreement with the interpretation of the temperature dependence of the CD spectra of (+) and (−) 8‐methyl‐cis‐2‐thiahydrindane, whereby the conformation with the methyl group axial with respect to the cyclohexane ring was claimed to be the preferred conformation. The preferred conformation of the related oxygen heterocycle, 8‐methyl‐cis‐2‐oxahydrindane, has been estimated by 13C NMR chemical shifts to be the conformer with the methyl group axial with respect to the cyclohexane ring. Possible reasons for these observations are discussed.