2,4,6-三(三氟甲基)苯胺 | 25753-22-4

• 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: 2,4,6-三(三氟甲基)苯胺
• 中文别名: 1,1'-(1,1,2,2-四甲基-1,2-亚乙基)二苯
• 英文名称: 2,4,6-tris(trifluoromethyl)aniline
• 英文别名: 2,4,6-tri(trifluoromethyl)aniline
• CAS: 25753-22-4
• 化学式: C₉H₄F₉N
• mdl: MFCD01312617
• 分子量: 297.123
• InChiKey: QIDUETMNCXXNKY-UHFFFAOYSA-N

物化性质

• 熔点：
  57-59
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  10

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2921420090

反应信息

• 作为反应物：
  描述：

  2,4,6-三(三氟甲基)苯胺 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 正己烷 为溶剂， 反应 6.0h， 生成 1,1,1,3,3,3-Hexamethyl-2-(2,4,6-tris-trifluoromethyl-phenyl)-disilazane
  参考文献：
  名称：

  2,4,6-三（三氟甲基）苯胺的制备及反应

  摘要：

  从R f H（1）开始[R f = 1,3,5-三（三氟甲基）苯基] R f NH 2（6）通过四步合成得到。胺6在DBU（J，8-二氮杂双环（5,4,0）十一烷基-7-烯）的存在下与氯代三甲基硅烷反应，形成单甲硅烷基化的和双甲硅烷基化的胺7和8。7的钾盐与SiCl 4反应，生成R f N（SiCl 3）2（10）。据报道单晶X射线结构为10。

  DOI：

  10.1016/s0022-1139(97)00097-3
• 作为产物：
  描述：

  2,4,6-三(三氟甲基)苯甲酸 在 氢氧化钾 、 五氯化磷 、 氨 、 溴 作用下， 以 四氯化碳 、 丙酮 为溶剂， 反应 25.0h， 生成 2,4,6-三(三氟甲基)苯胺
  参考文献：
  名称：

  2,4,6-三（三氟甲基）苯胺的制备及反应

  摘要：

  从R f H（1）开始[R f = 1,3,5-三（三氟甲基）苯基] R f NH 2（6）通过四步合成得到。胺6在DBU（J，8-二氮杂双环（5,4,0）十一烷基-7-烯）的存在下与氯代三甲基硅烷反应，形成单甲硅烷基化的和双甲硅烷基化的胺7和8。7的钾盐与SiCl 4反应，生成R f N（SiCl 3）2（10）。据报道单晶X射线结构为10。

  DOI：

  10.1016/s0022-1139(97)00097-3

文献信息

• Trifluoromethylation of various aromatic compounds by CF3I in the presence of Fe(II) compound, H2O2 and dimethylsulfoxide
  作者：Tatsuhito Kino、Yu Nagase、Yuhki Ohtsuka、Kyoko Yamamoto、Daisuke Uraguchi、Kenji Tokuhisa、Tetsu Yamakawa

  DOI：10.1016/j.jfluchem.2009.09.007

  日期：2010.1

  Trifluoromethylation of aromatic and hetero-aromatic compounds by CF3I in the presence of Fe(II) compound, H2O2 and dimethylsulfoxide was investigated. Various trifluoromethylated benzene derivatives, six-membered nitrogen-containing aromatic compounds and five-membered hetero-aromatic compounds were obtained under mild conditions. General orientation of electrophilic substitution of aromatic compounds was observed

  研究了在Fe（II）化合物，H 2 O 2和二甲基亚砜的存在下，CF 3 I对芳族和杂芳族化合物的三氟甲基化作用。在温和条件下获得了各种三氟甲基化苯衍生物，六元含氮芳族化合物和五元杂芳族化合物。与先前在其他自由基三氟甲基化中报道的类似，观察到芳族化合物的亲电子取代的一般取向。
• 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。
• METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING GROUP 4 TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited.

  公开号：US20140163173A1

  公开（公告）日：2014-06-12

  A method for producing an olefin block polymer, the method including: polymerizing olefins using a polymerization catalyst (X) and an organometallic compound (C) containing an atom of any of Groups 2, 12, and 13 of the periodic table of the elements, the organometallic compound (C) excluding an activating co-catalyst agent (B), wherein the polymerization catalyst (X) is formed by bringing a transition metal compound (A) into contact with the activating co-catalyst agent (B), the transition metal compound (A) is represented by the following general formula (1), and the activating co-catalyst agent (B) is selected from among an organoaluminumoxy compound (B-1), an organoboron compound (B-2), a zinc co-catalyst component (B-3), and ion-exchange layered silicate (B-4).

  一种生产烯烃块状聚合物的方法，包括：使用聚合催化剂（X）和含有元素周期表2组、12组和13组中任意一种元素的有机金属化合物（C）聚合烯烃，其中有机金属化合物（C）不包括活化共催化剂（B），聚合催化剂（X）通过将过渡金属化合物（A）与活化共催化剂（B）接触形成，过渡金属化合物（A）由下列通式（1）表示，活化共催化剂（B）从有机铝氧化合物（B-1）、有机硼化合物（B-2）、锌共催化组分（B-3）和离子交换层状硅酸盐（B-4）中选取。