3,3'-dinitrodiphenylamine | 20964-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3'-dinitrodiphenylamine
• 英文别名: 3-nitro-N-(3-nitrophenyl)aniline
• CAS: 20964-31-2
• 化学式: C₁₂H₉N₃O₄
• 分子量: 259.221
• InChiKey: LMTNHPMKZCMFLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  186.5 °C
• 沸点：
  417.0±30.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,3'-dinitrodiphenylamine 在 盐酸 、 溴 、 铁粉 、 溶剂黄146 作用下， 生成 bis-(5-amino-2-bromo-phenyl)-methane
  参考文献：
  名称：

  Thorp; Wildman, Journal of the American Chemical Society, 1915, vol. 37, p. 373

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,4-三硝基苯 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 99.0h， 生成 3,3'-dinitrodiphenylamine
  参考文献：
  名称：

  Dale, Johannes; Vikersveen, Line, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1988, vol. 42, # 6, p. 354 - 361

  摘要：

  DOI：

文献信息

• Condensations of 1,4-Cyclohexanediones and Secondary Aromatic Amines. II.<i>N</i>-Phenylation of Diarylamines
  作者：Kazuo Haga、Katsumasa Iwaya、Ryohei Kaneko

  DOI：10.1246/bcsj.59.803

  日期：1986.3

  The condensations of 1,4-cyclohexanedione with several diphenylamines were investigated in order to determine the limit of the utility of this reaction for the N-phenylation of aromatic secondary amines. 4-Methoxy-, 4,4′-dimethyl-, and 4,4′-dibromodiphenylamines produced their N-phenylated compounds in fairly good yields, but 4-hydroxy-, 3-methoxy-, and 4,4′-bis(dimethylamino)diphenylamines produced

  研究了 1,4-环己二酮与几种二苯胺的缩合反应，以确定该反应在芳族仲胺 N-苯基化反应中的应用极限。4-甲氧基-、4,4'-二甲基-和 4,4'-二溴二苯胺以相当好的产率生产它们的 N-苯基化化合物，但 4-羟基-、3-甲氧基-和 4,4'-双（二甲氨基）二苯胺的产率很低。硝基取代的二苯胺与 N-4-羟基苯基衍生物一起以低产率得到 N-苯基衍生物。N,N'-二苯基-对苯二胺和N,N'-二苯基联苯胺以良好的产率得到相应的四-N-苯基二胺。还研究了 N-苯基-1-萘胺、N-苯基-2-萘胺、二-2-吡啶胺、吩噻嗪和咔唑与 1,4-环己二酮的缩合。
• The Use of Hydroxylamine Hydrochloride in the Chan-Lam Reaction: A Simple Access to Symmetric Diarylamines
  作者：Jiang Cheng、Changfeng Zhou、Dongpeng Yang、Xiaofei Jia、Lixue Zhang

  DOI：10.1055/s-0029-1218295

  日期：2009.12

  A CuBr-catalyzed coupling reaction of hydroxylamine hydrochloride and arylboronic acids is described, providing a simple and efficient methodology for the synthesis of symmetric diaryl amines. The reaction shows good functional group tolerance.

  描述了盐酸羟胺和芳基硼酸的 CuBr 催化偶联反应，为合成对称二芳基胺提供了一种简单有效的方法。该反应显示出良好的官能团耐受性。
• Process for producing compound, catalyst component for addition polymerization, process for producing catalyst for addition polymerization, and process for producing addition polymer
  申请人：Oshima Hideki

  公开号：US20050222351A1

  公开（公告）日：2005-10-06

  There are provided (1) a process for producing a compound, which comprises the step of contacting a compound (A) defined by the formula, M 1 L 1 3 , a compound (B) defined by the formula, R 1 t-1 TH, and a compound (C) defined by the formula, R 2 t-2 TH 2 ; (2) a catalyst component for addition polymerization, which comprises a compound produced by said process; (3) a process for producing a polymerization catalyst, which comprises the step of contacting said catalyst component with a transition metal compound and an optional organoaluminum compound; and (4) a process for producing an addition polymer, which comprises the step of addition polymerizing an addition polymerizable monomer in the presence of a catalyst produced by said process.

  提供以下内容：（1）生产化合物的过程，包括将由M1L13公式定义的化合物（A）、由R1t-1TH公式定义的化合物（B）和由R2t-2TH2公式定义的化合物（C）接触的步骤；（2）用于加成聚合的催化剂组分，包括通过上述过程产生的化合物；（3）生产聚合催化剂的过程，包括将催化剂组分与过渡金属化合物和可选的有机铝化合物接触的步骤；（4）生产加成聚合物的过程，包括在上述过程产生的催化剂存在下加成聚合可聚合单体的步骤。
• TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION
  申请人：HANAOKA Hidenori

  公开号：US20110319578A1

  公开（公告）日：2011-12-29

  A transition metal compound represented by the formula (1-1) or the formula (1-2) (M is a transition metal atom) and a process for producing a catalyst for olefin polymerization comprising a step of bringing the transition metal compound into contact with a co-catalytic component for activation.

  一种由化学式(1-1)或化学式(1-2)所代表的过渡金属化合物（其中M是一种过渡金属原子）和制备催化剂的方法，包括将该过渡金属化合物与协同催化剂成分接触以激活的步骤。
• Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer
  申请人：Senda Taichi

  公开号：US20080161514A1

  公开（公告）日：2008-07-03

  A transition metal complex represented by the general formula [1]; a catalyst component for olefin polymerization comprising said transition metal complex; a catalyst for olefin polymerization using said transition metal complex as a catalyst component for olefin polymerization; a process for producing an olefin polymer comprising the step of polymerizing an olefin in the presence of said catalyst for olefin polymerization; a substituent-carrying fluorene compound; a process for producing said substituent-carrying fluorene compound; and a process for producing said transition metal complex using said substituent-carrying fluorene compound: wherein M is the group 4 transition metal atom in the periodic table of elements; A is the group 16 atom therein; J is the group 14 atom therein; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X 1 and X 2 are independently of one another (1) a substituent selected from the group consisting of (1-1) an alkyl group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-2) an aralkyl group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, (1-3) an aryl group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (1-4) a substituent-carrying silyl group having 1 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-5) a disubstituent-carrying amino group having 2 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-6) an alkoxy group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-7) an aralkyloxy group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, and (1-8) an aryloxy group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (2) a halogen atom or (3) a hydrogen atom; R 1 and R 2 , R 2 and R 3 , and R 3 and R 4 may be linked to each other, respectively, to form respective rings; R 5 and R 6 may be linked to each other to form a ring; R 7 , R 8 , R 9 and R 10 are independently of one another (1) a substituent selected from the group consisting of (1-1) an alkyl group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-2) an aralkyl group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, (1-3) an aryl group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (1-4) a substituent-carrying silyl group having 1 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-5) a disubstituent-carrying amino group having 2 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-6) an alkoxy group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-7) an aralkyloxy group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, and (1-8) an aryloxy group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (2) a halogen atom or (3) a hydrogen atom; at least two of R 7 , R 8 , R 9 and R 10 are the substituent selected from the above-mentioned group or a halogen atom; R 7 and R 8 may be linked to each other to form a ring; and R 9 and R 10 may be linked to each other to form a ring.

  一种以通式[1]表示的过渡金属配合物；一种包括该过渡金属配合物的烯烃聚合催化剂组分；一种使用该过渡金属配合物作为烯烃聚合催化剂组分的烯烃聚合催化剂；一种在该烯烃聚合催化剂存在下聚合烯烃的方法；一种携带取代基的芴化合物；一种制备该携带取代基的芴化合物的方法；以及一种使用该携带取代基的芴化合物制备该过渡金属配合物的方法：其中，M是元素周期表中的第4族过渡金属原子；A是其中的第16族原子；J是其中的第14族原子；R1、R2、R3、R4、R5、R6、X1和X2各自独立地是（1）选自以下组中的取代基：（1-1）具有1至20个碳原子的烷基取代基，其可以被卤素原子取代，（1-2）具有7至20个碳原子的芳基烷基取代基，其可以被卤素原子取代，（1-3）具有6至20个碳原子的芳基取代基，其可以被卤素原子取代，（1-4）携带取代基的具有1至20个碳原子的硅烷基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-5）携带二个取代基的具有2至20个碳原子的氨基取代基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-6）具有1至20个碳原子的烷氧基，其可以被卤素原子取代，（1-7）具有7至20个碳原子的芳基烷氧基，其可以被卤素原子取代，以及（1-8）具有6至20个碳原子的芳氧基，其可以被卤素原子取代，（2）卤素原子或（3）氢原子；R1和R2、R2和R3以及R3和R4可以分别相互连接以形成相应的环；R5和R6可以连接以形成环；R7、R8、R9和R10各自独立地是（1）选自上述组中的取代基：（1-1）具有1至20个碳原子的烷基取代基，其可以被卤素原子取代，（1-2）具有7至20个碳原子的芳基烷基取代基，其可以被卤素原子取代，（1-3）具有6至20个碳原子的芳基取代基，其可以被卤素原子取代，（1-4）携带取代基的具有1至20个碳原子的硅烷基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-5）携带二个取代基的具有2至20个碳原子的氨基取代基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-6）具有1至20个碳原子的烷氧基，其可以被卤素原子取代，（1-7）具有7至20个碳原子的芳基烷氧基，其可以被卤素原子取代，以及（1-8）具有6至20个碳原子的芳氧基，其可以被卤素原子取代，（2）卤素原子或（3）氢原子；R7、R8、R9和R10中至少有两个是上述组中的取代基或卤素原子；R7和R8可以连接以形成环；R9和R10可以连接以形成环。