4-羟基-3-甲基丁基乙酸酯 | 69195-37-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4-羟基-3-甲基丁基乙酸酯
• 英文名称: (S)-4-acetoxy-2-methyl butanal
• 英文别名: 4-Hydroxy-3-methylbutyl acetate；(4-hydroxy-3-methylbutyl) acetate
• CAS: 69195-37-5
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: LTJZCGRKLVKGSU-UHFFFAOYSA-N

物化性质

• 沸点：
  208.5±23.0 °C(Predicted)
• 密度：
  1.005±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-羟基-3-甲基丁基乙酸酯 、 苯甲酸酐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 生成 (S)-4-acetoxy-2-methyl butanal
  参考文献：
  名称：

  Enantioselective Hydroformylation of 1-Alkenes with Commercial Ph-BPE Ligand

  摘要：

  A rhodium complex, in conjunction with commercially available Ph-BPE ligand, catalyzes the branch-selective asymmetric hydroformylation of 1-alkenes and rapidly generates alpha-chiral aldehydes. A wide range of terminal olefins Including 1-dodecene were examined, and all delivered high enantioselectivity (up to 98:2 er) as well as good branch:linear ratios (up to 15:1).

  DOI：

  10.1021/acs.orglett.5b01421
• 作为产物：
  描述：

  乙酸 -3-丁烯酯 在 (acetylacetonato)dicarbonylrhodium (l) 、 sodium tetrahydroborate 、 三苯基膦 作用下， 以 甲苯 为溶剂， 80.0 ℃ 、1.03 MPa 条件下， 反应 5.0h， 生成 4-羟基-3-甲基丁基乙酸酯
  参考文献：
  名称：

  Enantioselective Hydroformylation of 1-Alkenes with Commercial Ph-BPE Ligand

  摘要：

  A rhodium complex, in conjunction with commercially available Ph-BPE ligand, catalyzes the branch-selective asymmetric hydroformylation of 1-alkenes and rapidly generates alpha-chiral aldehydes. A wide range of terminal olefins Including 1-dodecene were examined, and all delivered high enantioselectivity (up to 98:2 er) as well as good branch:linear ratios (up to 15:1).

  DOI：

  10.1021/acs.orglett.5b01421

文献信息

• Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst
  作者：Kohei Takahashi、Makoto Yamashita、Kyoko Nozaki

  DOI：10.1021/ja307998h

  日期：2012.11.14

  The catalyst system for tandem hydroformylation/hydrogenation of terminal alkenes to the corresponding homologated normal alcohol was developed. The reaction mechanism for the Rh/Ru dual catalyst was investigated by real-time IR monitoring experiments and (31)P NMR spectroscopy, which proved the mutual orthogonality of Rh-catalyzed hydroformylation and Ru-catalyzed hydrogenation. Detailed investigation

  开发了用于末端烯烃串联加氢甲酰化/加氢生成相应同系正醇的催化剂体系。通过实时红外监测实验和(31)P NMR光谱研究了Rh/Ru双催化剂的反应机理，证明了Rh催化加氢甲酰化和Ru催化加氢的相互正交性。在 H(2)/CO 压力下 Ru 催化十一醛加氢的详细调查阐明了与 H(2) 下加氢的不同动力学，并为在 H(2)/CO 气氛下设计更活跃的加氢催化剂提供了线索。还报道了单独的 Ru 催化的正常选择性加氢甲酰化/氢化。
• Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions
  申请人：HITACHI, LTD.

  公开号：EP0341713A2

  公开（公告）日：1989-11-15

  The invention relates to optically active compounds represented by the general formula I wherein m, n, Ri, R2, R3. R4, Q1, Q2, Q3, and M are defined as in the specification, methods and intermediates for their preparation, liquid crystal compositions comprising at least one optically active compound of formula I and their use in electrooptical display, switching and modulation devices.

  本发明涉及通式 I 所代表的光学活性化合物 其中m、n、Ri、R2、R3.R4、Q1、Q2、Q3 和 M 在说明书中的定义、制备它们的方法和中间体、包含至少一种式 I 的光学活性化合物的液晶组合物以及它们在光电显示、开关和调制装置中的用途。
• SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE
  申请人：BASF SE

  公开号：EP2838927A2

  公开（公告）日：2015-02-25
• US4124600A
  申请人：——

  公开号：US4124600A

  公开（公告）日：1978-11-07
• [EN] SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE<br/>[FR] COMPOSÉS DE TYPE SULFONIUM, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：BASF SE

  公开号：WO2013156509A2

  公开（公告）日：2013-10-24

  Compounds of the formula (I), Ia or (Ib) wherein A1- and A- is for example (II) is 1 or 2; X is C1-C4 alkylene or CO; Y is for example O, O(CO), O(CO)O, R1 is for example hydrogen, d-dsalkyl, C3-C30cycloalkyl, phenyl, naphthyl, anthracyl, phenanthryl, biphenylyl, fluorenyl or C3-C20heteroaryl, all of which optionally are substituted; R2 and R3 for example are C1-C10haloalkylene which is optionally substituted, or R2 and R3 are phenylene, which optionally is substituted; R4 is a group (A) or a group (B); R5 and R6 for example are C1-C20alkyl; or R4 and R5 or R4 and R6 together form a straight-chain C2-C6alkylene, R5 and R6 together form a straight-chain C2-C6alkylene; R7, R8, R9 and R10 ifor example are C1-C20alkyl; M for example is C1-C20alkylene, C2-C20alkenylene, C2-C20alkynylene; R25 and R26 are for example hydrogen, C1-C20alkyl; R27, R28, R29, R30 and R31 are for example hydrogen, C1-C20alkyl, C2-C20alkenyl, C3-C20cycloalkyl, or two radicals R27 and R28, R28 and R29, R29 and R30 and/or R30 and R31 together form a straight-chain C2-C6alkylene, or R25 and R27 together form 1,2-phenylene, R33 and R34 for example are hydrogen, C1-C20alkyl; R35, R36 and R37 for example are hydrogen, C1-C20alkyl; are suitable as thermo-acid generators.