3-hydroxy-2,5-dimethylhexanoic acid | 847997-41-5

• 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: 3-hydroxy-2,5-dimethylhexanoic acid
• 英文别名: 3-Hydroxy-2,5-dimethyl-hexansaeure；γ-Oxy-ε-methyl-hexan-β-carbonsaeure；β-Oxy-α.δ-dimethyl-n-capronsaeure；2.5-Dimethyl-hexanol-(3)-saeure-(1)
• CAS: 847997-41-5
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: PCXUDLCCHUMCBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-2,5-dimethylhexanoic acid 在 硫酸 作用下， 生成 5-isopropyl-3-methyl-dihydro-furan-2-one 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Raichstein, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1907, vol. 39, p. 597

  摘要：

  DOI：
• 作为产物：
  描述：

  异戊醛 、 2-溴丙酸乙酯 在 锌 作用下， 生成 3-hydroxy-2,5-dimethylhexanoic acid
  参考文献：
  名称：

  Raichstein, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1907, vol. 39, p. 597

  摘要：

  DOI：

文献信息

• Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases
  申请人：The Regents of the University of California

  公开号：US10233431B2

  公开（公告）日：2019-03-19

  The present invention provides for a polyketide synthase (PKS) capable of synthesizing a 3-hydroxycarboxylic acid or ketone. The present invention also provides for a host cell comprising the PKS and when cultured produces the 3-hydroxycarboxylic acid or ketone.

  本发明提供了一种能够合成3-羟基羧酸或酮的聚酮合酶（PKS）。本发明还提供了一种包含该PKS的宿主细胞，当培养时产生3-羟基羧酸或酮。
• Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases
  申请人：The Regents of the University of California

  公开号：US20150307855A1

  公开（公告）日：2015-10-29

  The present invention provides for a polyketide synthase (PKS) capable of synthesizing a 3-hydroxycarboxylic acid or ketone. The present invention also provides for a host cell comprising the PKS and when cultured produces the 3-hydroxycarboxylic acid or ketone.

  本发明提供了一种能够合成3-羟基羧酸或酮的聚酮合酶（PKS）。本发明还提供了一种包含PKS的宿主细胞，当培养时可产生3-羟基羧酸或酮。
• SYNTHESIS OF OLIGOKETIDES
  申请人：Kosan Biosciences

  公开号：EP1144375A2

  公开（公告）日：2001-10-17
• [EN] SYNTHESIS OF OLIGOKETIDES<br/>[FR] SYNTHESE DE POLYCETIDES
  申请人：KOSAN BIOSCIENCES INC

  公开号：WO2000044717A2

  公开（公告）日：2000-08-03

  Facile methods for preparing diketide and triketide thioesters are disclosed. The resulting thioesters may be used as intermediates in the synthesis of desired polyketides, and may contain functional groups which ultimately reside in side chains on the resulting polyketide and thus can be used further to manipulate the polyketide so as to form derivatives. The polyketides produced may also be tailored by glycosylation, hydroxylation and the like. New polyketides and their derivatives and tailored forms are thereby produced.