4-Aethylphenyl-bis(trifluoromethyl)carbinol | 785-98-8

• 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: 4-Aethylphenyl-bis(trifluoromethyl)carbinol
• 英文别名: 1,1,1,3,3,3-Hexafluoro-2-(4-ethylphenyl)propan-2-ol；2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• CAS: 785-98-8
• 化学式: C₁₁H₁₀F₆O
• 分子量: 272.19
• InChiKey: WWOZHSMWVHPEIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Process for producing fluorine-containing, polymerizable styrene monomer and intermediates used in same
  申请人：Central Glass Company, Limited

  公开号：US20040002612A1

  公开（公告）日：2004-01-01

  A fluorine-containing styrene monomer of the formula (2) is produced by a first, second or third process. The first process includes (a) reacting a compound of the formula (1) with a compound of the formula (3), in the presence of a metal catalyst; (b) reacting the product of the step (a) with a base; and (c) reacting the product of the step (b) with hydrogen, in the presence of a metal catalyst and a phosphine or amine, thereby producing the target styrene monomer. The second process includes reacting a compound of the formula (1) with a compound of the formula (12), in the presence of a metal catalyst, thereby producing the target styrene monomer. The third process includes reacting a compound of the formula (13) with a compound of the formula (14) or (15), in the presence of a base, thereby producing the target styrene monomer. 1

  公式（2）的含氟苯乙烯单体可通过第一、第二或第三过程生产。第一过程包括（a）在金属催化剂存在下，将公式（1）的化合物与公式（3）的化合物反应；（b）将步骤（a）的产物与碱反应；以及（c）在金属催化剂和膦或胺存在下，将步骤（b）的产物与氢气反应，从而产生目标苯乙烯单体。第二过程包括在金属催化剂存在下，将公式（1）的化合物与公式（12）的化合物反应，从而产生目标苯乙烯单体。第三过程包括在碱存在下，将公式（13）的化合物与公式（14）或（15）的化合物反应，从而产生目标苯乙烯单体。
• Pesticidal Compositions
  申请人：Crouse Gary D.

  公开号：US20100204165A1

  公开（公告）日：2010-08-12

  The invention disclosed in this document is related to the field of pesticides and their use in controlling pests. A compound having the following structure is disclosed.

  本文件所披露的发明涉及农药领域及其用于控制害虫。披露了一种具有以下结构的化合物。
• Pyrrolopyridazinone Compound
  申请人：Hagihara Masahiko

  公开号：US20090036453A1

  公开（公告）日：2009-02-05

  The present invention discloses a pyrrolopyridazinone compound represented by the formula (1): wherein R 1 represents C 1 -C 2 alkyl group or halogeno C 1 -C 2 alkyl group, R 2 repersents C 3 -C 5 cycloalkyl group, (C 3 -C 5 cycloalkyl)C 1 -C 2 alkyl group or C 1 -C 3 alkyl group, R 3 represents hydrogen atom, or methylene group or cis-vinylene group for forming substituted oxygen-containing hetero ring in combination with group —O—R 2 , R 4 represents hydrogen atom, halogen atom, C 1 -C 8 alkyl group, C 2 -C 6 alkenyl group, C 2 -C 6 alkynyl group, hydroxy C 3 -C 6 alkenyl group, hydroxy C 3 -C 6 alkynyl group, C 1 -C 6 alkyl group substituted by substituent(s) selected from Substituent group (a), C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), “C 1 -C 3 alkyl group which is substituted by C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), and which may be substituted by a hydroxy group”, an aromatic ring group or heteroaromatic ring group each of which may be substituted by a substituent(s) selected from Substituent group (c) or “C 1 -C 2 alkyl group which is substituted by aromatic ring group or heteroaromatic ring group each of which may be substituted by group(s) selected from Substituent group (c), and which may be substituted by a hydroxy group”, Substituent group (a) represents a halogen atom, hydroxy group, cyano group, carboxy group, C 1 -C 5 alkoxy group, halogeno C 1 -C 4 alkoxy group, C 3 -C 6 cycloalkoxy group, (C 3 -C 6 cycloalkyl)C 1 -C 2 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyl group, C 2 -C 4 alkanoyloxy group or C 1 -C 4 alkyl-substituted amino group, Substituent group (b) represents a hydroxy group or a halogen atom, Substituent group (c) represents a halogen atom, a hydroxy group, a cyano group, a nitro group, a carboxy group, C 1 -C 5 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyloxy group, C 1 -C 4 alkyl-substituted amino group or a C 1 -C 4 alkyl group which may be substituted by a substituent(s) selected from the group consisting of (a halogen atom, a hydroxy group and a carboxy group), or a pharmaceutically acceptable salt thereof.

  本发明公开了一种由式（1）表示的吡咯吡啶二酮化合物：其中，R1代表C1-C2烷基或卤代C1-C2烷基，R2代表C3-C5环烷基、（C3-C5环烷基）C1-C2烷基或C1-C3烷基，R3代表氢原子，或与基团-O-R2结合形成取代含氧杂环的亚甲基或顺式乙烯基，R4代表氢原子、卤素原子、C1-C8烷基、C2-C6烯基、C2-C6炔基、羟基C3-C6烯基、羟基C3-C6炔基、由从取代基团（a）中选择的取代基团取代的C1-C6烷基，可由从取代基团（b）中选择的取代基团取代的C3-C6环烷基，可由从取代基团（b）中选择的取代基团取代的C1-C3烷基，且可由羟基取代，芳香环基或杂芳香环基，每个都可由从取代基团（c）中选择的取代基团取代或由取代基团（c）选择的基团取代的C1-C2烷基，且可由羟基取代，取代基团（a）表示卤素原子、羟基、氰基、羧基、C1-C5烷氧基、卤代C1-C4烷氧基、C3-C6环烷氧基、（C3-C6环烷基）C1-C2烷氧基、C1-C4烷氧羰基、C2-C4酰基、C2-C4酰氧基或C1-C4烷基取代的氨基基团，取代基团（b）表示羟基或卤素原子，取代基团（c）表示卤素原子、羟基、氰基、硝基、羧基、C1-C5烷氧基、C1-C4烷氧羰基、C2-C4酰氧基、C1-C4烷基取代的氨基基团或可由从由卤素原子、羟基和羧基组成的基团中选择的取代基团取代的C1-C4烷基，或其药学上可接受的盐。
• Polymer compound for conductive polymer and method for producing same
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10851188B2

  公开（公告）日：2020-12-01

  A polymer compound for a conductive polymer contains one or more kinds of repeating units “a” represented by the following general formula (1) and has a weight average molecular weight in the range of 1,000 to 500,000, R1 represents a hydrogen atom or a methyl group; Rf1 represents a linear or branched alkyl group having 1 to 4 carbon atoms or a phenyl group, and has at least one fluorine atom or a trifluoromethyl group in Rf1; Z1 represents a single bond, an arylene group having 6 to 12 carbon atoms or —C(═O)—O—R2—; R2 represents a linear, branched or cyclic alkylene group having 1 to 12 carbon atoms, an arylene group having 6 to 10 carbon atoms or an alkenylene group having 2 to 10 carbon atoms, and may have an ether group, a carbonyl group or an ester group in R2; and “a” is 0

  一种用于导电聚合物的高分子化合物含有一种或多种由以下通式（1）表示的重复单元 "a"，其重量平均分子量在 1 000 至 500 000 之间、 R1 代表氢原子或甲基；Rf1 代表具有 1 至 4 个碳原子的直链或支链烷基或苯基，且在 Rf1 中至少有一个氟原子或三氟甲基；Z1 代表单键、具有 6 至 12 个碳原子的芳基或-C(═O)-O-R2-；R2 代表具有 1 至 12 个碳原子的直链、支链或环状亚烷基、具有 6 至 10 个碳原子的芳烯基或具有 2 至 10 个碳原子的烯基，R2 中可能具有醚基、羰基或酯基；"a "为 0
• PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR
  申请人：Ube Industries, Ltd.

  公开号：EP1982986B1

  公开（公告）日：2012-03-07