4-异亚丙基-1,2-二苯基-3,5-吡唑烷二酮 | 26485-81-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-异亚丙基-1,2-二苯基-3,5-吡唑烷二酮
• 英文名称: 4-(1-methylethylidene)-1,2-diphenyl-3,5-pyrazolidinedione
• 英文别名: 1,2-diphenyl-4-isopropylidenepyrazolidine-3,5-dione；4-isopropylidene-1,2-diphenyl-pyrazolidine-3,5-dione；4-Isopropyliden-1,2-diphenyl-pyrazolidin-3,5-dion；3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-；1,2-diphenyl-4-propan-2-ylidenepyrazolidine-3,5-dione
• CAS: 26485-81-4
• 化学式: C₁₈H₁₆N₂O₂
• 分子量: 292.337
• InChiKey: PDPQOBMGUDTPIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-异亚丙基-1,2-二苯基-3,5-吡唑烷二酮 在 乙醚 、 乙基溴化镁 作用下， 生成 4-tert-pentyl-1,2-diphenyl-pyrazolidine-3,5-dione
  参考文献：
  名称：

  US2830995

  摘要：

  公开号：
• 作为产物：
  描述：

  1,2-二苯肼 在 乙醚 作用下， 生成 4-异亚丙基-1,2-二苯基-3,5-吡唑烷二酮
  参考文献：
  名称：

  3,5-DIKETOPYRAZOLIDINE DERIVATIVES. I

  摘要：

  DOI：

  10.1246/bcsj.6.1

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。
• Preparation and evaluation of electrophilic derivatives of phenylbutazone as inhibitors of prostaglandin-H-synthase
  作者：Jonathan L. Vennerstrom、Thomas J. Holmes

  DOI：10.1021/jm00386a020

  日期：1987.3

  The chemical syntheses and biological evaluation of several potential irreversible inhibitors for prostaglandin (PGH) synthase are described. These inhibitors were modeled after the nonsteroidal antiinflammatory (NSAI) drug phenylbutazone (4-n-butyl-1,2-diphenyl-3,5-pyrazolidinedione). Electrophilic functionalities such as an alpha-bromoacetamide, an alpha-chloroacetamide, a phenylurethane, a propargyl chloride, and several alpha,beta-unsaturated Michael acceptors were incorporated at the 4-position of the pyrazolidinedione ring structure. None of the derivatives showed evidence of irreversible inhibition of PGH synthase, although several were nearly as potent inhibitors of this enzyme as phenylbutazone. The nitrile obtained from 1,4-conjugate addition of cyanide to one of the unsaturated derivatives was considerably more potent as an inhibitor of PGH synthase than was phenylbutazone.
• Cardani et al., Farmaco, Edizione Scientifica, 1956, vol. 11, p. 336,342
  作者：Cardani et al.

  DOI：——

  日期：——
• DE1005518
  申请人：——

  公开号：——

  公开（公告）日：——
• Functionalization of 1,2-diphenylpyrazolidine-3,5-dione with polyfluoroalkyl-containing 2- and 3-oxo esters
  作者：Olga G. Khudina、Yanina V. Burgart、Victor I. Saloutin

  DOI：10.1016/j.mencom.2020.09.026

  日期：2020.9

  Fluorine-containing analogues of non-steroidal anti-inflammatory drugs Tribuzone and Ketazone have been synthesized by reaction of 1,2-diphenylpyrazolidine-3,5dione with polyfluoroalkyl-containing 3- and 2-oxo esters. Ethyl 3-(pyrazolidin-4-yl)-3-(polyfluoroalkyl)prop-2-enoates have been obtained as Knoevenagel reaction products from 3-oxo esters in the presence of l-proline. Unlike with 3-oxo esters, addition of ethyl 3,3,3-trifluoro-2-oxopropanoate under basic conditions afforded ethyl 2-(pyrazolidin-4-yl)3,3,3-trifluoro-2-hydroxypropanoate or its salt without elimination of a water molecule.