(R)-4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one | 77832-42-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one
• 英文别名: (4R)-4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one
• CAS: 77832-42-9
• 化学式: C₉H₁₀O₂
• 分子量: 150.17
• InChiKey: ISFGTDAAYLSOFY-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one 生成 [(1R)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl] 4-methylbenzenesulfonate
  参考文献：
  名称：

  UMEHMURA, TAKEHAKI;INOUEH, AYUMIO;MITSUDA, KEHN

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Methyl-4-oxo-3-prop-2-ynylcyclopent-2-enyl acetate 生成 (R)-4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one
  参考文献：
  名称：

  UMEHMURA, TAKEHAKI, KAGAKU TO SEHJBUTSU, 26,(1988) N1, S. 753-754

  摘要：

  DOI：

文献信息

• Production of optically active cyclopentenolones
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04552703A1

  公开（公告）日：1985-11-12

  Optically active cyclopentenolones, useful as an intermediate to be directed to pyrethroid insecticide, are produced starting from the optically active cyclopentenolones with the opposite configuration, through the formation of their nitrate ester, followed by the hydrolysis with inversion of configuration.

  具有光学活性的环戊烯酮酮，可用作中间体，用于制备拟除虫菊酯类杀虫剂。从具有相反构型的光学活性环戊烯酮酮开始，通过形成它们的硝酸酯，随后通过反向构型的水解反应产生。
• Esterase gene and its use
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP0846768A2

  公开（公告）日：1998-06-10

  A gene is described coding for an esterase capable of causing asymmetric hydrolysis of an organic carboxylic acid ester of a cyclopentenolone of formula I: wherein R1 is C1-C10 alkyl, C2-C10 alkenyl, C2-C10 alkynyl or C1-C4 haloalkyl, to produce the cyclopentenolone of formula I in (S)-form; an esterase encoded by said gene and methods for its production as well as its use for the industrially favorable production of optically active cyclopentenolones of formula I which serve as the intermediates of drugs, agricultural chemicals, insecticides or other active products.

  描述了一种编码酯酶的基因，这种酯酶能使式 I 的环戊烯酮的有机羧酸酯发生不对称水解： 其中R1为C1-C10烷基、C2-C10烯基、C2-C10炔基或C1-C4卤代烷基，以产生(S)-形式的式I环戊烯酮；由所述基因编码的酯酶及其生产方法，以及将其用于工业化生产具有光学活性的式I环戊烯酮的方法，这些光学活性环戊烯酮可作为药物、农药、杀虫剂或其它活性产品的中间体。
• UMEHMURA, TAKEHAKI, KAGAKU TO SEHJBUTSU, 26,(1988) N1, S. 753-754
  作者：UMEHMURA, TAKEHAKI

  DOI：——

  日期：——
• Tanabe Yoo, Yamamoto Hiromi, Yoshida Yoshihiro, Miyawaki Takashi, Utsumi +, Bull. Chem. Soc. Jap., 68 (1995) N 1, S 297-300
  作者：Tanabe Yoo, Yamamoto Hiromi, Yoshida Yoshihiro, Miyawaki Takashi, Utsumi +

  DOI：——

  日期：——
• UMEHMURA, TAKEHAKI;INOUEH, AYUMIO;MITSUDA, KEHN
  作者：UMEHMURA, TAKEHAKI、INOUEH, AYUMIO、MITSUDA, KEHN

  DOI：——

  日期：——