4-(3,5-双叔丁基-4-氧代-2,5-环己二烯-1-亚基)-2,4-二氢-5-甲基-2-苯基-3H-吡唑-3-酮 | 153787-33-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 4-(3,5-双叔丁基-4-氧代-2,5-环己二烯-1-亚基)-2,4-二氢-5-甲基-2-苯基-3H-吡唑-3-酮
• 英文名称: 4-(2,6-Di-tert-butyl-cyclohexa-2,5-dien-1-on-4-yliden)-3-methyl-1-phenyl-pyrazolin-5-on
• 英文别名: 4-(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one；4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-5-methyl-2-phenylpyrazol-3-one
• CAS: 153787-33-8
• 化学式: C₂₄H₂₈N₂O₂
• 分子量: 376.499
• InChiKey: VJNMCMPRRORYHF-UHFFFAOYSA-N

物化性质

• 沸点：
  455.6±55.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为产物：
  描述：

  5-甲基-2-苯基-1,2-二氢吡唑-3-酮 、 2,4,6-tri-tert-butylphenoxyl 以 苯 为溶剂， 以80%的产率得到4-(3,5-双叔丁基-4-氧代-2,5-环己二烯-1-亚基)-2,4-二氢-5-甲基-2-苯基-3H-吡唑-3-酮
  参考文献：
  名称：

  Radikalreaktionen an N-Heterocyclen. XI [1] Reaktionen von 3-Methyl-pyrazolin-5-onen mit Phenoxyl-Radikalen

  摘要：

  Pyrazolin-5-ones (3a-4) were oxidized with 2,4,6-trisubstituted phenoxy radicals (2a-d) to the corresponding radicals (4a-i), which dimerised or combined with phenoxy radical (2a) depending on the R1- and R4-substituents in (3). In the case of 3-methyl-1-phenyl-pyrazolin-5-one (3f) the primary radical combination products were not found, but the corresponding quinone methide (17) and the o-phenol derivative (18) were isolated. Products and yields have been investigated as a function of mol ratio substrate: oxidant and solvent. The radical combination products (7-10) could de-tertbutylated in the presence of aluminium chloride or in the presence of trifluoroarcetic acid, forming heterocyclic substituted phenols (21) and (22).

  DOI：

  10.1002/prac.19933350706

文献信息

• ELECTRON TRANSPORT MATERIAL, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS
  申请人：FUJI XEROX CO., LTD.

  公开号：US20160085164A1

  公开（公告）日：2016-03-24

  Provided is an electron transport material represented by formula (1): wherein X represents an oxygen atom or ═C(CN) 2 ; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 each independently represent a hydrogen atom, a halogen atom, a linear or branched alkyl group, an alkoxy group, an aryl group, or an aralkyl group; R 8 , R 9 , and R 10 each independently represent a hydrogen atom, a halogen atom, a linear or branched alkyl group, an aralkyl group, an aryl group, —R 11 —O—R 12 , or —R 13 —CO—O—R 14 ; R 11 represents a linear or branched alkylene group; R 12 represents a linear or branched alkyl group; R 13 represents a single bond or a linear or branched alkylene group; and R 14 represents a linear or branched alkyl group, an aryl group, or an aralkyl group, provided that at least two or more groups of R 8 , R 9 , and R 10 represent a group other than a hydrogen atom.

  提供的是一种由公式（1）表示的电子传输材料：其中X代表氧原子或═C（CN）2；R1、R2、R3、R4、R5、R6和R7分别独立地表示氢原子、卤素原子、直链或支链烷基、烷氧基、芳基或芳基烷基；R8、R9和R10分别独立地表示氢原子、卤素原子、直链或支链烷基、芳基烷基、芳基、—R11—O—R12或—R13—CO—O—R14；R11表示直链或支链烷基；R12表示直链或支链烷基；R13表示单键或直链或支链烷基；R14表示直链或支链烷基、芳基或芳基烷基，但至少有两个或更多的R8、R9和R10代表除氢原子外的一种基团。
• Charge-transfer material and process for producing the same, electron-transfer agent, photoreceptor for electrophotography and organic electroluminescence element using said charge-transfer material
  申请人：Kiuchi Yasuyuki

  公开号：US20060134539A1

  公开（公告）日：2006-06-22

  A photosensitive layer contains an electron-transfer agent that makes use of a compound represented by the following general formula (1): wherein R 1 through R 4 are each independently selected from the group consisting of hydrogen, cyano, nitro, halogen, hydroxyl, alkyl, aryl, heterocyclic ring, ester, alkoxy, aralkyl, allyl, amide, amino, acyl, alkenyl, alkynyl, carboxyl, carbonyl, and carboxylic acid; X is selected from the group consisting of oxygen, sulfur, and ═C(CN) 2 ; and W is a 4- to 8-membered ring.
• ELECTROPHOTOGRAPHIC PHOTORECEPTOR, METHOD OF MANUFACTURING THE PHOTORECEPTOR, AND ELECTROPHOTOGRAPHIC DEVICE
  申请人：FUJI ELECTRIC CO., LTD.

  公开号：US20210124279A1

  公开（公告）日：2021-04-29

  An electrophotographic photoreceptor includes a conductive substrate and a photosensitive layer formed on the conductive substrate. The photosensitive layer contains a cross-linked structure derived from a first hole transport material represented by the following general formula (1): Za is a polymerizable functional group with structural formula (2), (3), or (4), Zb is a divalent group with structural formula (5), (6), or (7), Ra, Rb, Rc and Rd each are one of a branched or unbranched alkyl group having from 1 to 6 carbon atoms, an alkoxy group having from 1 to 6 carbon atoms, a substituted or unsubstituted phenyl group, or a substituted or unsubstituted styryl group, l is an integer of 0 or 1, m is an integer from 0 to 5, n, o, and p are each integer from 0 to 4, q is an integer from 1 to 3.
• US7195851B2
  申请人：——

  公开号：US7195851B2

  公开（公告）日：2007-03-27
• US9335644B2
  申请人：——

  公开号：US9335644B2

  公开（公告）日：2016-05-10