1-{4-[3-(ethylsulfonyl)-5-fluorophenoxy]-2-methylphenyl}-4-(trifluoromethyl)-1H-benzimidazole | 1168155-15-4

• 分子结构分类: 有机化合物
• 英文名称: 1-{4-[3-(ethylsulfonyl)-5-fluorophenoxy]-2-methylphenyl}-4-(trifluoromethyl)-1H-benzimidazole
• 英文别名: 1-[4-(3-ethylsulfonyl-5-fluorophenoxy)-2-methylphenyl]-4-(trifluoromethyl)benzimidazole
• CAS: 1168155-15-4
• 化学式: C₂₃H₁₈F₄N₂O₃S
• 分子量: 478.467
• InChiKey: WQLLEYRPUONGSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-methyl-4-[4-(trifluoromethyl)-1H-benzimidazol-1-yl]phenol 、 1,3-Difluoro-5-(ethylsulfonyl)benzene 生成 1-{4-[3-(ethylsulfonyl)-5-fluorophenoxy]-2-methylphenyl}-4-(trifluoromethyl)-1H-benzimidazole
  参考文献：
  名称：

  Benzimidazole Compounds

  摘要：

  本发明涉及苯并咪唑基的肝X受体（LXR）调节剂，其具有公式（I）和相关方法：其中R2是C6-C10芳基或杂芳基，包括5-10个原子，每个原子：（i）用1个R7取代，（ii）可选地用1-5个Re取代；R1，R3，R4，R5，R6，R7和Re在此定义。

  公开号：

  US20110034526A1

文献信息

• [EN] BENZIMIDAZOLE COMPOUNDS<br/>[FR] COMPOSITIONS DE BENZIMIDAZOLE
  申请人：WYETH CORP

  公开号：WO2009086138A1

  公开（公告）日：2009-07-09

  This invention relates generally to benzimidazole-based modulators of Liver X receptors (LXRs) and related methods (Formula I). wherein R2 is C6-C10 aryl or heteroaryl including 5-10 atoms, each of which is: (i) substituted with 1 R7, and (ii) optionally substituted with from 1-5 Re; and R1, R3, R4, R5, R6, R7, and Re are defined herein.

  这项发明通常涉及苯并咪唑基调节肝X受体（LXR）的调节剂和相关方法（式I）。其中R2是C6-C10芳基或杂芳基，包括5-10个原子，每个原子：（i）被1个R7取代，（ii）可选择地被1-5个Re取代；R1、R3、R4、R5、R6、R7和Re在此处被定义。
• METHOD FOR PRODUCING COMPOUND HAVING FLUOROSULFONYL GROUP BY COUPLING REACTION
  申请人：Iwaya Masao

  公开号：US20080097125A1

  公开（公告）日：2008-04-24

  To provide a method for producing a fluorinated compound having a fluorosulfonyl group by coupling reaction. A method for producing a compound represented by the formula [(FSO 2 -) a (Z-) 3-a C—] n R(—COY) b-n , which comprises subjecting a compound represented by the formula (FSO 2 -) a (Z-) 3-a C(—COX) and a compound represented by the formula R(—COY) b to photocoupling reaction when X and Y are a fluorine atom or to electrolytic coupling reaction when X and Y are each independently a hydroxyl group or a group represented by the formula —OM, provided that X and Y are a fluorine atom, a hydroxyl group or a group represented by the formula —OM, Z is a hydrogen atom, a fluorine atom, a chlorine atom or a monovalent organic group, R is a b-valent organic group, M is an alkali metal atom, “a” is an integer of from 1 to 3, and “b” and “n” are each independently an integer of from 1 to 4, provided that b≧n.

  提供一种通过偶联反应生成含有氟磺酰基的氟化合物的方法。该方法包括将化合物FSO2-a(Z-)3-aC(—COX)和化合物R(—COY)b在X和Y为氟原子时进行光偶联反应，或在X和Y分别独立地为羟基或代表式—OM的基团时进行电解偶联反应，其中X和Y均为氟原子、羟基或代表式—OM的基团，Z为氢原子、氟原子、氯原子或一价有机基团，R为二价有机基团，M为碱金属原子，“a”为1至3的整数，“b”和“n”各自独立地为1至4的整数，但要求b≧n，生成的化合物的化学式为[(FSO2-)a(Z-)3-aC—]nR(—COY)b-n。
• Process for producing fluorinated sulfonyl fluoride
  申请人：Murata Koichi

  公开号：US20060111584A1

  公开（公告）日：2006-05-25

  The present invention provides a process for producing a fluorinated sulfonyl fluoride useful as e.g. a material for an ion exchange resin, and a novel chemical substance useful as an intermediate in the production process. That is, to provide a process comprising oxidizing Y—S—R A -E-R B by means of an oxidizing agent essentially containing a halogen atom to obtain XSO 2 —R A -E-R B , and in a case that X is a fluorine atom, reacting the compound with fluorine in a liquid phase as it is, and in a case that X is a halogen atom other than a fluorine atom, converting X into a fluorine atom, and then reacting the obtained compound with fluorine in a liquid phase to obtain FSO 2 —R AF -E F -R BF , and then decomposing it to obtain FSO 2 —R AF —COF (wherein R A is a bivalent organic group such as an alkylene group, R B is a monovalent organic group such as a perfluoroalkyl group, E is —CH 2 OCO—, Y is a monovalent organic group such as a cyano group or the like, X is a halogen atom, R AF is a bivalent organic group having R A fluorinated or the like, R BF is the same group as R B or the like, and E F is —CF 2 OCO—).

  本发明提供了一种制备氟磺酰氟的方法，该氟磺酰氟可用作离子交换树脂的材料，以及一种在生产过程中用作中间体的新型化学物质。即提供一种方法，包括用含有卤素原子的氧化剂氧化Y-S-RA-E-RB以得到XSO2-RA-E-RB，当X为氟原子时，将化合物与液相中的氟反应，当X为除氟原子以外的卤素原子时，将X转化为氟原子，然后将所得化合物与液相中的氟反应以得到FSO2-RAF-EF-RBF，然后分解它以得到FSO2-RAF-COF（其中RA是双价有机基团，如烷基，RB是单价有机基团，如全氟烷基，E是-CH2OCO-，Y是单价有机基团，如氰基或类似物，X是卤素原子，RAF是具有RA氟化或类似物的双价有机基团，RBF是与RB相同的基团或类似物，EF是-CF2OCO-）。
• Processes for producing a fluorosulfonyl group-containing compound and a compound led from the fluorosulfonyl group-containing compound
  申请人：ASAHI GLASS COMPANY LIMITED

  公开号：US20040230018A1

  公开（公告）日：2004-11-18

  A fluorosulfonyl group-containing compound having a high polymerization reactivity, a process for its production, a sulfonyl group-containing polymerizable monomer led from the sulfonyl group-containing compound, and a polymer obtainable by polymerizing the sulfonyl group-containing polymerizable monomer, are provided. A compound (3) is fluorinated to form a compound (4), and then, the compound (4) is subjected to a decomposition reaction to produce a compound (5). A preferred compound (5-1) of the compound (5) is thermally decomposed to produce a compound (7-1) having a high polymerization reactivity. 1 wherein R A is a bivalent organic group such as a fluoroalkylene group, R AF is a group having R A fluorinated, or the same group as R A , each of R B to R D which are independent of one another, is a hydrogen atom, etc., each of R BF to R DF is a fluorine atom, etc., R E is a monovalent organic group, R EF is a group having R E fluorinated, or the same group as R E , E is a bivalent connecting group, E F is the same group as E, or a group having E fluorinated, E F1 is a group formed by scission of E F , each of X 1 to X 3 is a hydrogen atom, etc., and each of X 1F to X 3F is a fluorine atom, etc.

  提供一种含有氟磺酰基的高聚合反应性化合物，其制备过程，从含有磺酰基的化合物引导的磺酰基可聚合单体，以及通过聚合磺酰基可聚合单体得到的聚合物。化合物(3)经氟化反应形成化合物(4)，然后将化合物(4)进行分解反应，得到化合物(5)。化合物(5)的优选化合物(5-1)经热分解反应，得到具有高聚合反应性的化合物(7-1)。其中，RA是双价有机基团，例如氟代烷基团，RAF是RA氟代的基团，或与RA相同的基团，RB到RD各自独立地是氢原子等，RBF到RDF各自是氟原子等，RE是单价有机基团，REF是RE氟代的基团，或与RE相同的基团，E是双价连接基团，EF是与E相同的基团，或是E氟代的基团，EF1是由EF断裂形成的基团，X1到X3各自是氢原子等，X1F到X3F各自是氟原子等。
• PROCESSES FOR PRODUCING A FLUOROSULFONYL GROUP-CONTAINING COMPOUND AND A COMPOUND LED FROM THE FLUOROSULFONYL GROUP-CONTAINING COMPOUND
  申请人：OKAZOE Takashi

  公开号：US20080287694A1

  公开（公告）日：2008-11-20

  A fluorosulfonyl group-containing compound having a high polymerization reactivity, a process for its production, a sulfonyl group-containing polymerizable monomer led from the sulfonyl group-containing compound, and a polymer obtainable by polymerizing the sulfonyl group-containing polymerizable monomer, are provided. A compound (3) is fluorinated to form a compound (4), and then, the compound (4) is subjected to a decomposition reaction to produce a compound (5). A preferred compound (5-1) of the compound (5) is thermally decomposed to produce a compound (7-1) having a high polymerization reactivity. wherein R A is a bivalent organic group such as a fluoroalkylene group, R AF is a group having R A fluorinated, or the same group as R A , each of R B to R D which are independent of one another, is a hydrogen atom, etc., each of R BF to R DF is a fluorine atom, etc., R E is a monovalent organic group, R EF is a group having R E fluorinated, or the same group as R E , E is a bivalent connecting group, E F is the same group as E, or a group having E fluorinated, E F1 is a group formed by scission of E F , each of X 1 to X 3 is a hydrogen atom, etc., and each of X 1F to X 3F is a fluorine atom, etc.

  提供了一种含有氟磺酰基团的高聚合反应性化合物、其制备方法、由含有磺酰基团的聚合单体引导的磺酰基团含量的聚合物以及通过聚合磺酰基团含量的聚合单体获得的聚合物。化合物（3）被氟化形成化合物（4），然后，化合物（4）经历分解反应产生化合物（5）。化合物（5）的优选化合物（5-1）被热分解产生具有高聚合反应性的化合物（7-1）。 其中，RA是双价有机基团，例如氟烷基团，RAF是RA氟化的基团，或者与RA相同的基团，RB到RD中的每一个都是独立的，是氢原子等，RBF到RDF中的每一个都是氟原子等，RE是单价有机基团，REF是RE氟化的基团，或者与RE相同的基团，E是双价连接基团，EF是与E相同的基团，或者是E氟化的基团，EF1是通过EF断裂形成的基团，X1到X3中的每一个都是氢原子等，X1F到X3F中的每一个都是氟原子等。