3,5-二甲基-3’,5’-二叔丁基-4,4’-联苯醌 | 126657-30-5

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 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: 3,5-二甲基-3’,5’-二叔丁基-4,4’-联苯醌
• 中文别名: 3,5-二甲基-3,5-二-叔丁基-4,4-二苯醌；3,5-二甲基-3',5'-二叔丁基-4,4'-联苯醌
• 英文名称: 3,5-dimethyl-3',5'-di-t-butyl-4,4'-diphenoquinone
• 英文别名: 3,5-dimethyl-3',5'-ditertiarybutyldiphenoquinone；ETM-A；3,5-dimethyl-3',5'-di-t-butyldiphenoquinone；3,5-Dimethyl-3',5'-ditert-butyldiphenoquinone；4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one
• CAS: 126657-30-5
• 化学式: C₂₂H₂₈O₂
• 分子量: 324.463
• InChiKey: QJQMLCUZRRVCPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  180-181 ºC
• 密度：
  1.058

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二甲基苯酚 、 2,6-di-tert-butyl-4-chloro-6-((3,5-di-tert-butyl-1-chloro-4-oxocyclohexa-2,5-dien-1-yl)(3,5-dichloro-4-hydroxyphenyl)amino)cyclohexa-2,4-dien-1-one 以 various solvent(s) 为溶剂， 反应 0.67h， 生成 3,5-二甲基-3’,5’-二叔丁基-4,4’-联苯醌
  参考文献：
  名称：

  吉布斯反应的机理。第2部分：2,6-二叔丁基-4-氯苯酚和2,6-二氯苯醌N-氯亚胺的反应产物的邻⇉邻2,4-环己二烯-1-酮重排

  摘要：

  在1 H NOE差异测量中观察到的饱和转移证明了2,6-二叔丁基-4-氯苯酚与2,6的反应产物的邻⇉邻2,4-环己二烯-1-酮重排-二氯苯醌N-氯亚胺。该过程是分子内重排。

  DOI：

  10.1016/s0040-4020(01)85354-0

文献信息

• TRIARYLAMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER
  申请人：KYOCERA Document Solutions Inc.

  公开号：US20160152552A1

  公开（公告）日：2016-06-02

  A triarylamine derivative is represented by general formula (1) shown below. In general formula (1), R 1 , R 2 , and R 3 each represent, independently of one another, a halogen atom, an optionally substituted alkyl group having a carbon number of at least 1 and no greater than 6, an optionally substituted alkoxy group having a carbon number of at least 1 and no greater than 6, or an optionally substituted aryl group having a carbon number of at least 6 and no greater than 12. In general formula (1), o, p, and q each represent, independently of one another, an integer of at least 0 and no greater than 4, and m and n each represent, independently of one another, an integer of at least 1 and no greater than 2.

  一个三芳胺衍生物由下面显示的一般式（1）表示。在一般式（1）中，R1、R2和R3分别表示独立的卤原子，具有至少1个碳原子且不大于6的可选择取代的烷基基团，具有至少1个碳原子且不大于6的可选择取代的烷氧基团，或具有至少6个碳原子且不大于12的可选择取代的芳基团。在一般式（1）中，o、p和q分别表示独立的至少为0且不大于4的整数，m和n分别表示独立的至少为1且不大于2的整数。
• Choice of Manganese(III) Complexes for the Synthesis of 4,4′-Biphenyldiols and 4,4′-Diphenoquiones
  作者：Hiroshi Nishino、Nobuyuki Itoh、Makiko Nagashima、Kazu Kurosawa

  DOI：10.1246/bcsj.65.620

  日期：1992.2

  6-Disubstituted phenols are oxidized with tris(2,4-pentanedionato)manganese(III), [Mn(acac)3], in glacial acetic acid to give the corresponding 4,4′-biphenyldiols in high yields, whereas similar reactions using manganese(III) acetate, [Mn(OAc)3], insted of [Mn(acac)3] quantitatively yield the corresponding 4,4′-diphenoquinones. Cross-coupling reactions of 2,6-di-t-butylphenol and other substituted phenols afford

  2,6-二取代酚在冰醋酸中被三（2,4-戊二酮）锰（III）[Mn(acac)3]氧化，以高产率得到相应的4,4'-联苯二醇，而类似的使用乙酸锰 (III)，[Mn(OAc)3]，插入 [Mn(acac)3] 的反应定量地产生相应的 4,4'-二苯醌。2,6-二叔丁基苯酚和其他取代苯酚的交叉偶联反应得到相应的交叉偶联 4,4'-联苯二醇和 4,4'-二苯醌以及衍生自起始苯酚本身的氧化产物。讨论了 [Mn(acac)3] 和 [Mn(OAc)3] 在无处不在的苯酚偶联反应中的有利用途。
• TRIARYLAMINE DERIVATIVE, ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND METHOD FOR PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER
  申请人：KYOCERA Document Solutions Inc.

  公开号：US20170131647A1

  公开（公告）日：2017-05-11

  A triarylamine derivative represented by general formula (1) below. In the general formula (1), R 1 , R 2 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 each represent, independently from one another, a hydrogen atom, an optionally substitute alkyl group having a carbon number of at least 1 and no greater than 6, an optionally substituted alkoxy group having a carbon number of at least 1 and no greater than 6, or an optionally substituted aryl group having a carbon number of at least 6 and no greater than 14, R 3 represents an alkyl group having a carbon number of at least 1 and no greater than 4, X represents an alkylene group having a carbon number of at least 1 and no greater than 6 or an oxygen atom, and n represents an integer of 1 to 3.

  下面是通式（1）表示的三芳胺衍生物。在通式（1）中，R1、R2、R4、R5、R6、R7、R8和R9分别独立地表示氢原子、具有至少1个碳原子且不大于6个碳原子的可选取代烷基基团、具有至少1个碳原子且不大于6个碳原子的可选取代烷氧基基团，或具有至少6个碳原子且不大于14个碳原子的可选取代芳基基团，R3表示具有至少1个碳原子且不大于4个碳原子的烷基基团，X表示具有至少1个碳原子且不大于6个碳原子的烷基基团或氧原子，n表示1到3之间的整数。
• 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。
• TRIPHENYLAMINE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER
  申请人：KYOCERA DOCUMENT SOLUTIONS INC.

  公开号：US20140357895A1

  公开（公告）日：2014-12-04

  A triphenylamine derivative is represented by General Formula (1). In General Formula (1), OR 1 represents an alkoxy group having 2 to 8 carbon atoms. R 2 to R 6 each independently represent a hydrogen atom or an alkyl group having 1 to 8 carbon atoms. Ar 1 and Ar 2 each independently represent a hydrogen atom, an aryl group having 6 to 20 carbon atoms and optionally substituted with an alkyl group having 1 to 6 carbon atoms, an aryl group having 6 to 20 carbon atoms and optionally substituted with an alkoxy group having 1 to 6 carbon atoms, a cycloalkyl group having 3 to 10 carbon atoms, or a 3- to 10-membered heterocyclic group. Note that the case where Ar 1 and Ar 2 are both a hydrogen atom is excluded.

  三苯胺衍生物由通式（1）表示。在通式（1）中，OR1代表具有2至8个碳原子的烷氧基。R2至R6各自独立地代表氢原子或具有1至8个碳原子的烷基。Ar1和Ar2各自独立地代表氢原子，具有6至20个碳原子的芳基基团，可选地被具有1至6个碳原子的烷基基团取代，具有6至20个碳原子的芳基基团，可选地被具有1至6个碳原子的烷氧基团取代，具有3至10个碳原子的环烷基团，或具有3至10个成员的杂环基团。请注意，Ar1和Ar2都是氢原子的情况被排除在外。