2-乙基-2-(3-甲基-丁基)-丙烷-1,3-二醇 | 25450-96-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-乙基-2-(3-甲基-丁基)-丙烷-1,3-二醇
• 英文名称: 2-ethyl-2-(3-methyl-butyl)-propane-1,3-diol
• 英文别名: 2-ethyl-2-isopentyl-propane-1,3-diol；2-Aethyl-2-isopentyl-propan-1,3-diol；5-Methyl-2-hydroxymethyl-2-ethyl-hexanol-(1)；1,3-Propanediol, 2-ethyl-2-isopentyl-；2-ethyl-2-(3-methylbutyl)propane-1,3-diol
• CAS: 25450-96-8
• 化学式: C₁₀H₂₂O₂
• 分子量: 174.283
• InChiKey: NUIKGQMJEKJURJ-UHFFFAOYSA-N

物化性质

• 沸点：
  133-135 °C(Press: 10 Torr)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙基-2-(3-甲基-丁基)-丙烷-1,3-二醇 、 碳酸二乙酯 在 sodium methylate 作用下， 生成 5-ethyl-5-isopentyl-[1,3]dioxan-2-one
  参考文献：
  名称：

  Organic Carbonates. IV.^1a,b,c Factors Affecting Formation of Homologous Cyclic Carbonates

  摘要：

  DOI：

  10.1021/jo01094a010
• 作为产物：
  描述：

  乙基异戊基丙二酸二乙酯 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2-乙基-2-(3-甲基-丁基)-丙烷-1,3-二醇
  参考文献：
  名称：

  Anomalous Reactions of Lithium Aluminum Hydride

  摘要：

  DOI：

  10.1021/jo01094a011

文献信息

• Heterocyclic Ring and Carbocyclic Derivative
  申请人：Shionogi & Co., Ltd.

  公开号：US20160024072A1

  公开（公告）日：2016-01-28

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect, e.g. a compound of Formula (I): wherein R 2 is a hydrogen atom or the like; ring A is five- to seven-cycloalkane or the like; C is a carbon atom; Q 1 and Q 2 are carbon atoms or the like; R 9a and R 9b are carbon atoms or the like; R 6 is cycloalkyl or the like; R 7 is a group represented by the formula: wherein ring D is benzene or the like; carbon atom a and b are carbon atoms; ring B is an aromatic carbocyclic ring or the like; s and s′ are 0 or the like; R 9 and R 9′ are halogen or the like, or the like, or its pharmaceutically acceptable salt.

  本发明提供了具有P2X3和/或P2X2/3受体拮抗作用的新化合物，例如Formula (I)的化合物：其中R2是氢原子或类似物；环A是五至七环烷或类似物；C是碳原子；Q1和Q2是碳原子或类似物；R9a和R9b是碳原子或类似物；R6是环烷基或类似物；R7是由以下公式表示的基团：其中环D是苯或类似物；碳原子a和b是碳原子；环B是芳香族碳环或类似物；s和s'为0或类似物；R9和R9'是卤素或类似物，或其药用可接受盐。
• Process for producing substantially linear carbonate polymer
  申请人：PPG INDUSTRIES, INC.

  公开号：EP0068804A1

  公开（公告）日：1983-01-05

  A process for producing substantially linear carbonate polymer comprising: a. introducing carbonic dihalide to a substantially anhydrous solution comprising inert organic solvent, at least one substituted or unsubstituted 1,3-propanediol and a catalytic amount of nitrogen-containing, hydrohalide salt-forming, thermally regenerable organic catalyst, while the temperature of the solution is in the range of from about 70°C to about 225°C; and b. removing hydrogen halide from the vicinity of the solution.

  一种生产基本线性碳酸盐聚合物的工艺，包括： a. 将碳酸二卤化物引入基本无水的溶液中，该溶液包括惰性有机溶剂、至少一种取代或未取代的 1,3-丙二醇和催化量的含氮、形成氢卤化物盐、可热再生的有机催化剂，而溶液的温度在约 70°C 至约 225°C 的范围内；以及 b. 从溶液附近除去卤化氢。
• HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE
  申请人：Shionogi & Co., Ltd.,

  公开号：US20170298058A1

  公开（公告）日：2017-10-19

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect, e.g. a compound of Formula (I): wherein R 2 is a hydrogen atom or the like; ring A is five- to seven-cycloalkane or the like; C is a carbon atom; Q 1 and Q 2 are carbon atoms or the like; R 9a and R 9b are carbon atoms or the like; R 6 is cycloalkyl or the like; R 7 is a group represented by the formula: wherein ring D is benzene or the like; carbon atom a and b are carbon atoms; ring B is an aromatic carbocyclic ring or the like; s and s′ are 0 or the like; R 9 and R 9′ are halogen or the like, or the like, or its pharmaceutically acceptable salt.
• US4365055A
  申请人：——

  公开号：US4365055A

  公开（公告）日：1982-12-21
• US9550763B2
  申请人：——

  公开号：US9550763B2

  公开（公告）日：2017-01-24