isobutyl 3-hydroxybutanoate | 85762-19-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: isobutyl 3-hydroxybutanoate
• 英文别名: 2-methylpropyl 3-hydroxybutanoate
• CAS: 85762-19-2
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: DBUHENMJXAGYNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  isobutyl 3-hydroxybutanoate 生成 2-methylpropyl (2R,3R)-3-hydroxy-2-methylbutanoate
  参考文献：
  名称：

  NAKAMURA, KAORU;MIYAI, TAKEHIKO;NAGAR, ASHISH;OKA, SHINZABURO;OHNO, ATSUY+, BULL. CHEM. SOC. JAP., 62,(1989) N, C. 1179-1187

  摘要：

  DOI：
• 作为产物：
  描述：

  iso-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate 在 sodium periodate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 isobutyl 3-hydroxybutanoate
  参考文献：
  名称：

  Ni and Pd mediate asymmetric organoboron synthesis with ester functionality at the β-position

  摘要：

  基于经手性 P-P 配体修饰的 Ni 和 Pd 复合物的催化系统可用于在δ±,δ²-不饱和酯的δ² 位上对映选择性地添加硼单元的便捷策略。

  DOI：

  10.1039/b909341a

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE COMME INHIBITEURS DES BROMODOMAINES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016146738A1

  公开（公告）日：2016-09-22

  Compounds of formula (I) and salts thereof: wherein R1, R2, R3, R4 are defined herein. Compounds of formula (I) and salts thereof have been found to inhibit the binding of the BET family of bromodomain proteins to, for example, acetylated lysine residues and thus may have use in therapy, for example in the treatment of autoimmune and inflammatory diseases, such as rheumatoid arthritis; and cancers.

  式（I）的化合物及其盐：其中R1、R2、R3、R4在此处定义。已发现式（I）的化合物及其盐能够抑制BET家族的溴结构域蛋白与例如乙酰化赖氨酸残基的结合，因此可能在治疗中发挥作用，例如在治疗自身免疫和炎症性疾病（如类风湿性关节炎）和癌症方面。
• Metal-Free Catalytic Boration at the β-Position of α,β-Unsaturated Compounds: A Challenging Asymmetric Induction
  作者：Amadeu Bonet、Henrik Gulyás、Elena Fernández

  DOI：10.1002/anie.201001198

  日期：——

  Enantiomerically enriched secondary organoboronates containing β‐carbonyl functional groups have been prepared using an unprecedented organocatalytic system (see scheme). The use of chiral tertiary phosphorus compounds induced ee values of up to 95 % in the absence of transition metals.

  使用史无前例的有机催化体系制备了含有β-羰基官能团的对映体富集的仲有机硼酸酯（参见方案）。在不存在过渡金属的情况下，使用手性叔磷化合物可导致ee值高达95％。
• Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters
  作者：William J. Fleming、Helge Müller-Bunz、Vanesa Lillo、Elena Fernández、Patrick J. Guiry

  DOI：10.1039/b900741e

  日期：——

  The synthesis and resolution of a new axially chiral Quinazolinap ligand are reported. The application of this and other related P-N ligands to the copper catalyzed β-borylation of α,β-unsaturated esters resulted in conversions of up to 100% and ee values of up to 79%. A diastereomerically pure palladacycle of the new ligand was characterised by X-ray crystallography.

  报道了一种新型轴手性喹唑啉啶配体的合成与解析。将该配体及其他相关P-N配体应用于铜催化的α,β-不饱和酯的β-硼化反应中，获得了高达100%的转化率和高达79%的ee值。通过X射线晶体学方法对新配体的一种纯对映异构钯环进行了表征。
• Method for preparing optically active beta-butyrolactones
  申请人：Watanabe Shinya

  公开号：US20060046286A1

  公开（公告）日：2006-03-02

  The present invention is to provide a method for preparing easily and efficiently β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives in high optical purity by use of an easily available hydrolase, which are useful as intermediates for pharmaceuticals, agrochemicals and the like. More particularly, the present invention relates to a method for preparing β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives with an optical purity of substantially 100% ee, comprising reacting a β-butyrolactone which is a mixture of optical isomers, with a nucleophilic agent in the presence of a hydrolase, provided that a lipase derived from porcine pancreas is excluded.

  本发明提供了一种使用易得的水解酶高效制备β-丁内酯和/或高光学纯度的光学活性3-羟基羧酸衍生物的方法，这些衍生物作为制药、农药等中间体具有应用价值。更具体地说，本发明涉及一种制备β-丁内酯和/或光学活性3-羟基羧酸衍生物的方法，其光学纯度达到实质上100% ee，包括在水解酶的存在下，用亲核试剂反应混合光学异构体的β-丁内酯，但不包括来自猪胰脂肪酶的酶。
• Catalyst component for olefin polymerization and catalyst comprising the same
  申请人：Gao Mingzhi

  公开号：US20060287446A1

  公开（公告）日：2006-12-21

  The present invention provides a catalyst component for polymerization of olefin CH 2 =CHR, in which R is hydrogen or C 1 -C 12 alkyl or aryl, comprising magnesium, titanium, a halogen and an electron donor compound (a) which is at least one selected from the group consisting of dibasic ester compounds of the formula (I), and said catalyst component optionally further comprising an electron donor compound (b) selected from the group consisting of aliphatic dicarboxylic esters and aromatic dicarboxylic esters, and/or an electron donor compound (c) selected from the group consisting of 1,3-diether compounds of formula (IV): wherein, R 1 , R′ and A are as defined in the description, wherein R I -R VIII are as defined in the description, and a catalyst comprising the catalyst component.

  本发明提供了一种用于聚合烯烃CH2=CHR（其中R为氢或C1-C12烷基或芳基）的催化剂组分，包括镁、钛、卤素和电子给体化合物（a），所述电子给体化合物（a）至少选自公式（I）的二元酯化合物组中的一种，所述催化剂组分可选地进一步包括从脂肪族二羧酸酯和芳族二羧酸酯组成的电子给体化合物（b），和/或从公式（IV）的1,3-二醚化合物组中选择的电子给体化合物（c），其中R1、R'和A如描述中所定义，RI-RVIII如描述中所定义，以及包括所述催化剂组分的催化剂。