4-(1-Hydroxy-2,2,6-trimethylcyclohex-1-yl)-but-3-in-2-ol | 41641-09-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1-Hydroxy-2,2,6-trimethylcyclohex-1-yl)-but-3-in-2-ol
• 英文别名: 1-(3-hydroxy-but-1-ynyl)-2,2,6-trimethyl-cyclohexanol；1-(3-Hydroxy-but-1-inyl)-2,2,6-trimethyl-cyclohexanol；1-(3-Hydroxybut-1-yn-1-yl)-2,2,6-trimethylcyclohexan-1-ol；1-(3-hydroxybut-1-ynyl)-2,2,6-trimethylcyclohexan-1-ol
• CAS: 41641-09-2
• 化学式: C₁₃H₂₂O₂
• 分子量: 210.316
• InChiKey: MJQWBMRBYSWPQD-UHFFFAOYSA-N

物化性质

• 熔点：
  112-113 °C
• 沸点：
  107-108 °C(Press: 0.15 Torr)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2906199090

反应信息

• 作为反应物：
  描述：

  4-(1-Hydroxy-2,2,6-trimethylcyclohex-1-yl)-but-3-in-2-ol 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 4-(2,2,6-trimethyl-cyclohexylidene)-but-3-en-2-ol
  参考文献：
  名称：

  Miki; Hara, Pharmaceutical Bulletin, 1956, vol. 4, p. 85,87

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,6-三甲基环己酮 在 氨 、 碳酸氢铵 、 potassium hydroxide 作用下， 以 水 为溶剂， 10.0~30.0 ℃ 、1.5 MPa 条件下， 反应 6.5h， 生成 4-(1-Hydroxy-2,2,6-trimethylcyclohex-1-yl)-but-3-in-2-ol
  参考文献：
  名称：

  一种β-突厥酮的合成方法

  摘要：

  本发明提供了一种β‑突厥酮的合成方法，其包括如下步骤：1)使化合物II与乙炔发生亲核加成反应生成化合物III；2)使化合物III与乙醛发生缩合反应生成化合物IV；3)使化合物IV发生Meyer‑Schueter重排反应得到化合物V，即，β‑突厥酮，

  公开号：

  CN111440055B

文献信息

• Attenburrow et al., Journal of the Chemical Society, 1952, p. 1094,1103
  作者：Attenburrow et al.

  DOI：——

  日期：——
• SCHMIDT, C.;CHISHTI, N. H.;BREINING, T., SYNTHESIS, BRD, 1982, N 5, 391-393
  作者：SCHMIDT, C.、CHISHTI, N. H.、BREINING, T.

  DOI：——

  日期：——
• Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence
  申请人：Cruz Antonio

  公开号：US20070111970A1

  公开（公告）日：2007-05-17

  Inositol derivatives are described that are represented by the structural formula I wherein X is a radical of scyllo-inositol wherein one or more of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl, or carboxamide and the other of R 1 , R 2 , R 3 , R 4 , R 5 , or R 6 are hydroxyl, or pharmaceutically acceptable salts thereof. The compounds, compositions comprising same and methods using same are described for use in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence.
• SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE
  申请人：Cruz Antonio

  公开号：US20090170957A1

  公开（公告）日：2009-07-02

  Scyllo-Inositol derivatives represented by structural formula II are described, wherein at least one and not more than five of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 is hydroxyl and the other of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, ammo, lmmo, azido, thiol, thioalkyl, thioaryl, mtro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl or carbamide, or pharmaceutically acceptable salts thereof. Said derivatives and compositions comprising the same are useful in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, deposition, accumulation or persistence.
• Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence
  申请人：Curz Antonio

  公开号：US20100105631A1

  公开（公告）日：2010-04-29

  Inositol derivatives are described that are represented by the structural formula I wherein X is a radical of scyllo-inositol wherein one or more of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl, or carboxamide and the other of R 1 , R 2 , R 3 , R 4 , R 5 , or R 6 are hydroxyl, or pharmaceutically acceptable salts thereof. The compounds, compositions comprising same and methods using same are described for use in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence.