2-isopropylidene-1,3-cyclopentanedione | 90036-74-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-isopropylidene-1,3-cyclopentanedione
• 英文别名: 2-(Propan-2-ylidene)cyclopentane-1,3-dione；2-propan-2-ylidenecyclopentane-1,3-dione
• CAS: 90036-74-1
• 化学式: C₈H₁₀O₂
• 分子量: 138.166
• InChiKey: ZIRZHXIHDIKFMF-UHFFFAOYSA-N

物化性质

• 沸点：
  269.5±20.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-isopropylidene-1,3-cyclopentanedione 生成 2-(2-hydroxy-5-oxocyclopenten-1-yl)-2,4,4-trimethyl-4a,6,7,7a-tetrahydro-3H-cyclopenta[b]pyran-5-one
  参考文献：
  名称：

  EATON, P. E.;BUNNELLE, W. H., TETRAHEDRON LETT., 1984, 25, N 1, 23-26

  摘要：

  DOI：
• 作为产物：
  描述：

  3-hydroxy-2-isopropylcyclopent-2-enone 在 间氯过氧苯甲酸 作用下， 以 三乙胺 、 苯 为溶剂， 生成 2-isopropylidene-1,3-cyclopentanedione
  参考文献：
  名称：

  Methodologies for 2-alkylidene-1,3-cyclopentanediones

  摘要：

  DOI：

  10.1016/s0040-4039(01)91138-4

文献信息

• METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND
  申请人：Motoki Masuji

  公开号：US20090240067A1

  公开（公告）日：2009-09-24

  A method of producing a compound represented by formula (1), including: allowing 1,4-benzoquinone or 1,2-benzoquinone to react with a dithiocarbamate compound represented by formula (2) in a polar solvent: wherein R 1 and R 2 each independently represent a hydrogen atom, an alkyl group, an aryl group or a heterocyclic group, R 1 and R 2 may be the same or different and may be combined with each other to form a ring, X represents an ion necessary to neutralize the charge of the molecule, m represents an integer of 1 to 2, n represents an integer of 1 to 2, M represents a hydrogen atom, a metal atom or a conjugate acid of a base, p represents an integer of 1 to 4, and q represents an integer of 1 to 4.

  一种生产由化学式（1）表示的化合物的方法，包括：允许1,4-苯醌或1,2-苯醌在极性溶剂中与由化学式（2）表示的二硫代氨基甲酸盐化合物发生反应：其中R1和R2各自独立地表示氢原子、烷基、芳基或杂环基，R1和R2可以相同也可以不同，并且可以结合在一起形成环，X表示中性化分子电荷所需的离子，m表示1至2的整数，n表示1至2的整数，M表示氢原子、金属原子或碱的共轭酸，p表示1至4的整数，q表示1至4的整数。
• Eaton, Philip E.; Bunnelle, William H.; Engel, Peter, Canadian Journal of Chemistry, 1984, vol. 62, p. 2612 - 2626
  作者：Eaton, Philip E.、Bunnelle, William H.、Engel, Peter

  DOI：——

  日期：——
• EATON, PH. E.;BUNNELLE, W. H.;ENGEL, P., CAN. J. CHEM., 1984, 62, N 11, 2612-2626
  作者：EATON, PH. E.、BUNNELLE, W. H.、ENGEL, P.

  DOI：——

  日期：——
• 2,3-DIPHENYL-VALERONITRILDERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DEREN VERWENDUNG ALS HERBIZIDE UND PFLANZENWACHSTUMSREGULATOREN
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2731933B1

  公开（公告）日：2015-09-30
• HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME
  申请人：Hanaki Naoyuki

  公开号：US20100210762A1

  公开（公告）日：2010-08-19

  A compound represented by formula (I-1): wherein R 21 , R 22 , R 23 and R 24 each independently represent a hydrogen atom or a monovalent substituent, with the proviso that compounds, in which R 21 , R 22 , R 23 and R 24 each are an alkylthio group, are excluded; R 21 and R 22 and/or R 23 and R 24 each may bond to each other to form a ring, with the proviso that compounds, in which the formed ring is a dithiol ring or a dithiolane ring, are excluded; R 25 and R 26 each independently represent a hydrogen atom or a monovalent substituent; X 21 , X 22 , X 23 and X 24 each independently represent a hetero atom; compounds, wherein R 21 , R 22 , R 23 and R 24 each represent a cyan group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group or a hydrogen atom, are excluded; and compounds, wherein R 21 and R 23 each represent a hydrogen atom; R 22 and R 24 each represent an arylcarbonyl group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group, are excluded; and an ultraviolet absorbent, which has molecular weight of 10,000 or less and molar extinction coefficient at the maximum absorption wavelength of the ultraviolet absorbent of 80,000 or more.