2,4,6-三(三氟甲基)苯酚 | 122489-60-5

• 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)苯酚
• 英文名称: 2,4,6-tris(trifluoromethyl)phenol
• CAS: 122489-60-5
• 化学式: C₉H₃F₉O
• 分子量: 298.108
• InChiKey: VFRSJKZNKXMYNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,4,6-三(三氟甲基)苯酚 生成 barium(2+);2,4,6-tris(trifluoromethyl)phenolate
  参考文献：
  名称：

  ROESKY, HERBERT W.;SCHOLZ, MARIO;NOLTEMEYER, MATHIAS, CHEM. BER., 123,(1990) N2, C. 2303-2309

  摘要：

  DOI：

文献信息

• Metallocene Compounds Having Appended Lewis Acids and Polymerization Therewith
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20200071349A1

  公开（公告）日：2020-03-05

  This invention relates to metallocene compounds represented by the formula: catalyst systems comprising said metallocene compound and an activator or a reaction product of the metallocene compound with the at least one activator, and polymerization processes using such metallocene compounds and activators, where Cp a and Cp b are optionally-substituted cyclopentadienyl rings; A is bridging group; q is zero or 1; Q is O, O(CR 3 R 4 ) m , (CR 3 R 4 ) m O, or (CR 3 R 4 ) m ; m is 0 to 18; Z is (CR 3 R 4 ) 2 ; LA is a Lewis acid; M is a transition metal; X 1 and X 2 are independently R 5 or OR 5 ; R 1 and R 2 are independently selected from optionally-substituted hydrocarbyl groups; R 3 and R 4 are independently selected from the group consisting of H, halogen, and an optionally-substituted hydrocarbyl group; and R 5 is alkyl, aryl, perfluoroalkyl, or perfluoroaryl.

  这项发明涉及由以下公式表示的茂金属化合物： 包括所述茂金属化合物和活化剂或所述茂金属化合物与至少一个活化剂的反应产物的催化剂体系，以及使用这种茂金属化合物和活化剂的聚合过程，其中Cp a 和Cp b 是可选择取代的环戊二烯基环；A是桥连基；q为零或1；Q为O、O(CR 3 R 4 ) m 、(CR 3 R 4 ) m O或(CR 3 R 4 ) m ；m为0至18；Z为(CR 3 R 4 ) 2 ；LA为路易斯酸；M为过渡金属；X 1 和X 2 独立地为R 5 或OR 5 ；R 1 和R 2 独立地选自可选择取代的烃基团；R 3 和R 4 独立地选自H、卤素和可选择取代的烃基团的群；R 5 为烷基、芳基、全氟烷基或全氟芳基。
• Highly Active Trialkoxymolybdenum(VI) Alkylidyne Catalysts Synthesized by a Reductive Recycle Strategy
  作者：Wei Zhang、Stefan Kraft、Jeffrey S. Moore

  DOI：10.1021/ja0379868

  日期：2004.1.1

  A systematic study of alkyne metathesis catalyzed by trialkoxymolybdenum(VI) alkylidyne complexes is reported, in which substrate functional groups, alkynyl substituents, and catalyst ligands are varied. Sterically hindered trisamidomolybdenum(VI) propylidyne complex 5 was prepared conveniently through a previously communicated reductive recycle strategy. Alcoholysis of 5 with various phenols/alcohols

  报道了由三烷氧基钼 (VI) 烷炔配合物催化的炔复分解的系统研究，其中底物官能团、炔基取代基和催化剂配体各不相同。空间位阻三氨基钼 (VI) 丙炔配合物 5 通过先前传达的还原循环策略方便地制备。5与各种酚类/醇类的醇解为炔烃在室温下复分解提供了一套活性催化剂，其中以对硝基苯酚为配体的催化剂表现出最高的催化活性，并与多种官能团和溶剂相容。能够使用高活性钼 (VI) 催化剂的一个关键发现是用丁炔基取代起始炔底物上常用的丙炔基取代基。在使用 1,2,4-三氯苯作为不挥发性溶剂的减压下，丁炔基取代化合物的炔烃复分解在 30 摄氏度下进行得很好，提供了高产率 (83%-97%) 的二聚体。讨论了丁炔基底物所起特殊作用的合理化。
• 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。
• Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0587311A1

  公开（公告）日：1994-03-16

  Compounds of formula (I) : [wherein: R¹ is hydrogen, alkyl, aralkyl, -CORa, -CORb, -CSRa, -CSRb, -SO₂Rb, -CONHRb, -CSNHRb, -CONRbRb or -CSNRbRb; R² is hydrogen or alkyl; R³ is hydrogen, alkylidene, substituted alkyl, or Rb; R⁴ is optionally substituted alkyl, cycloalkyl, or aryl; R⁵ is RbO-, RbRbN-, RbHN-, aralkyloxycarbonyloxy or aralkyloxycarbonylamino, or R⁵ is -(CH₂)p-D-(CH₂)r- [where D is a single bond, carbonyl, oxygen, sulphur, -NH-, -(CH₂=CH₂)- or -NHCO-; and p and r are each 0 or an integer from 1 to 5]; A is -(CH₂)m-B-(CH₂)n- [where B is a single bond, carbonyl, oxygen, sulphur, -NH-, -(CH₂=CH₂)- or -NHCO-; and m and n are each 0 or an integer from 1 to 5]; Ra is alkoxy, aralkyloxy, aryloxy or alkoxycarbonyl; Rb is optionally substituted alkyl, cycloalkyl, heterocyclic, aryl or arylalkenyl]; and pharmaceutically acceptable salts and esters thereof and pro-drugs therefor, have the ability to inhibit the activity of HIV protease and may thus be used for the treatment and prophylaxis of AIDS.

  化合物的化学式为(I)：[其中：R¹为氢，烷基，芳基烷基，-CORa，-CORb，-CSRa，-CSRb，-SO₂Rb，-CONHRb，-CSNHRb，-CONRbRb或-CSNRbRb；R²为氢或烷基；R³为氢，烷基亚甲基，取代烷基或Rb；R⁴为可选取代的烷基，环烷基或芳基；R⁵为RbO-，RbRbN-，RbHN-，芳基烷氧羰氧基氧或芳基烷氧羰氨基，或R⁵为-(CH₂)p-D-(CH₂)r- [其中D为单键，酰基，氧，硫，-NH-，-(CH₂=CH₂)-或-NHCO-；p和r分别为0或1到5的整数]；A为-(CH₂)m-B-(CH₂)n- [其中B为单键，酰基，氧，硫，-NH-，-(CH₂=CH₂)-或-NHCO-；m和n分别为0或1到5的整数]；Ra为烷氧基，芳基烷氧基，芳氧基或烷氧羰基；Rb为可选取代的烷基，环烷基，杂环，芳基或芳基烷烯基]；以及其药学上可接受的盐和酯以及其前药，具有抑制HIV蛋白酶活性的能力，因此可用于治疗和预防艾滋病。