3-methylene-pentane-2,4-diol | 145873-56-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methylene-pentane-2,4-diol
• 英文别名: 1,3-dimethyl-2-methylene-1,3-propanediol；3-Methylidenepentane-2,4-diol
• CAS: 145873-56-9
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: GSTHQNTUGGGKIR-UHFFFAOYSA-N

物化性质

• 沸点：
  214.5±20.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  3-methylene-pentane-2,4-diol 在 bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Highly functionalized donor–acceptor cyclopropanes applied toward the synthesis of the Melodinus alkaloids

  摘要：

  A series of highly substituted vinylcyclopropanes were prepared and examined as reaction partners in a palladium-catalyzed (3+2) cycloaddition with nitrostyrenes. Described herein are our efforts to synthesize an elusive 1,1-divinylcyclopropane by several distinct approaches, and to apply surrogates of this fragment toward the synthesis of the Melodious alkaloids. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.09.016
• 作为产物：
  描述：

  2-苯并噁唑甲腈,7-甲基- 在 sodium tetrahydroborate 、 cerium(III) chloride heptahydrate 作用下， 以 甲醇 为溶剂， 生成 3-methylene-pentane-2,4-diol
  参考文献：
  名称：

  Highly functionalized donor–acceptor cyclopropanes applied toward the synthesis of the Melodinus alkaloids

  摘要：

  A series of highly substituted vinylcyclopropanes were prepared and examined as reaction partners in a palladium-catalyzed (3+2) cycloaddition with nitrostyrenes. Described herein are our efforts to synthesize an elusive 1,1-divinylcyclopropane by several distinct approaches, and to apply surrogates of this fragment toward the synthesis of the Melodious alkaloids. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.09.016

文献信息

• Spiroorthocarbonate compound and copolymers obtained therefrom
  申请人：Kuraray Co., Ltd.

  公开号：US05298631A1

  公开（公告）日：1994-03-29

  An asymmetric spiroorthocarbonate compound having one exomethylene group and represented by the following general formula (1) ##STR1## wherein A represents a group selected from the group consisting of: ##STR2## wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4 each represents a hydrogen atom, a lower alkyl group having not more than 8 carbon atoms, an alkoxy group, a halogen group, a nitro group, a cyano group, an amino group, an amide group, a hydroxyl group or an alkyl ester group having not more than 20 carbon atoms; and R.sup.5, R.sup.6, R.sup.7 and R.sup.8, R.sup.9 through R.sup.14, R.sup.15 through R.sup.22, R.sup.23 through R.sup.28 and R.sup.29 through R.sup.36 each represents a hydrogen atom or a lower alkyl group having not more than 8 carbon atoms; and copolymers containing units therefrom.

  一种具有一个外向亚甲基基团的不对称螺环正碳酸酯化合物，其由下列通式（1）表示： ##STR1## 其中A代表从以下组中选择的一种基团： ##STR2## 其中R.sup.1，R.sup.2，R.sup.3和R.sup.4分别代表氢原子，不超过8个碳原子的低级烷基基团，烷氧基，卤素基，硝基，氰基，氨基，酰胺基，羟基或不超过20个碳原子的烷基酯基团；而R.sup.5，R.sup.6，R.sup.7和R.sup.8，R.sup.9到R.sup.14，R.sup.15到R.sup.22，R.sup.23到R.sup.28和R.sup.29到R.sup.36分别代表氢原子或不超过8个碳原子的低级烷基基团；以及含有该化合物单元的共聚物。
• (Z)-3-Methyl-3-penten-2-ol as stereochemical probe for 1,2 versus 1,3 allylic strain in the photooxygenation and epoxidation of chiral allylic alcohols
  作者：Waldemar Adam、Bernd Nestler

  DOI：10.1016/s0040-4039(00)61632-5

  日期：1993.1

  The importance of 1,2 versus 1,3 allylic strain in hydroxy-directed reactions can be assessed from reactions of (Z)-3-methyl-3-penten-2-ol, which is demonstrated for the ene reaction of singlet oxygen and the epoxidations by m-CPBA and VO(acac)2/t-BuOOH; furthermore these results provide insight into transition state geometries for such hydroxy-directed oxygen transfer reactions.

  可以从（Z）-3-甲基-3-戊烯-2-醇的反应中评估1,2与1,3烯丙基菌株在羟基定向反应中的重要性，这对于单线态氧和烯的烯反应证明了这一点。m -CPBA和VO（acac）2 / t -BuOOH的环氧化；此外，这些结果提供了对于这种羟基定向的氧转移反应的过渡态几何构型的见解。
• Spiroorthocarbonate compound and polymers obtained therefrom
  申请人：KURARAY CO., LTD.

  公开号：EP0503896B1

  公开（公告）日：1999-01-07
• US4189552A
  申请人：——

  公开号：US4189552A

  公开（公告）日：1980-02-19
• US5298631A
  申请人：——

  公开号：US5298631A

  公开（公告）日：1994-03-29