4-hydroxy-3-methylbutyl benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-hydroxy-3-methylbutyl benzoate
• 英文别名: (4-Hydroxy-3-methylbutyl) benzoate
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: HWEFOTCHJABCTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  苯甲酸酐 、 4-hydroxy-3-methylbutyl benzoate 在 4-二甲氨基吡啶 、 三乙胺 作用下， 生成 (R,S)-2-methylbutane-1,4-diol dibenzoate
  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：

  3-butenyl benzoate 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-hydroxy-3-methylbutyl benzoate
  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

• Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity
  申请人：Montero Jean-Louis

  公开号：US20060241087A1

  公开（公告）日：2006-10-26

  The invention concerns novel phosphonate derivatives, preparation method, use thereof as ligands modulating T γ9δ2 lymphocyte activity and pharmaceutical compositions comprising them.

  这项发明涉及新型膦酸酯衍生物，其制备方法，以及将其用作调节T γ9δ2淋巴细胞活性的配体和包含它们的药物组合物。
• Lipase-catalyzed monoprotection of 1,4-diols in an organic solvent using vinyl benzoate as acyl transfer agent
  作者：Pierangela Ciuffreda、Silvana Casati、Enzo Santaniello

  DOI：10.1016/s0040-4039(03)00694-4

  日期：2003.4

  Lipase from Mucor miehei (MML) has been selected as the most suitable enzyme to catalyze the efficient monobenzoylation of 1,4-diols using vinyl benzoate as acyl transfer reagent in tert-butyl methyl ether. The regioselectivity of the monobenzoylation of 2-substituted-1,4-diols has been studied as well.

  来自Mucor miehei（MML）的脂肪酶已被选为最合适的酶，用于催化在叔丁基甲基醚中使用苯甲酸乙烯酯作为酰基转移试剂对1,4-二醇进行有效的单苯甲酰化。还研究了2-取代的1，4-二醇的单苯甲酰基化的区域选择性。
• Phosphonates useful as modulators of T-gamma-9-delta-2 activity
  申请人：Montero Jean-Louis

  公开号：US20100204184A1

  公开（公告）日：2010-08-12

  The invention concerns novel phosphonate derivatives, preparation method, use thereof as ligands modulating T γ9δ2 lymphocyte activity and pharmaceutical compositions comprising them.

  这项发明涉及新型膦酸盐衍生物、其制备方法，以及将其用作调节T γ9δ2淋巴细胞活性的配体和包含它们的制药组合物。
• US8017596B2
  申请人：——

  公开号：US8017596B2

  公开（公告）日：2011-09-13