2-Nitro-4'-trifluormethoxy-diphenylether | 23891-48-7

• 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: 2-Nitro-4'-trifluormethoxy-diphenylether
• 英文别名: 4-(Trifluormethoxy)-2'-nitrodiphenylaether；1-trifluoromethoxy-4-(2-nitro-phenoxy)-benzene；1-nitro-2-[4 (trifluoromethoxy)phenoxy]benzene；1-nitro-2-[4-(trifluoromethoxy)phenoxy]benzene
• CAS: 23891-48-7
• 化学式: C₁₃H₈F₃NO₄
• 分子量: 299.206
• InChiKey: LGZLBSZWWAWGDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-Nitro-4'-trifluormethoxy-diphenylether 在 铁粉 、 氯化铵 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以95%的产率得到2-Amino-4'-trifluormethoxydiphenyl-ether
  参考文献：
  名称：

  WO2007/3934

  摘要：

  公开号：
• 作为产物：
  描述：

  对三氟甲氧基苯酚 、 硝基氯苯 生成 2-Nitro-4'-trifluormethoxy-diphenylether
  参考文献：
  名称：

  2-三氟甲氧基二苯并[b，e] [1,4]二氮杂和2-三氟甲氧基二苯并[b，f] [1,4]-奥氮平衍生物。

  摘要：

  DOI：

  10.1021/jm00296a032

文献信息

• N-Phenyloxamide derivatives
  申请人：YAMAGUCHI Youichi

  公开号：US20080249175A1

  公开（公告）日：2008-10-09

  A compound represented by the following general formula (I) or a salt thereof, or a hydrate thereof or a solvate thereof having an inhibitory action against plasminogen activator inhibitor-1 (PAI-1): wherein R 1 represents a C 6-10 aryl group; or a C 6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, cyano group, nitro group, a C 1-6 alkyl group, a halogenated C 1-6 alkyl group, a C 1-6 alkoxy group, a halogenated C 1-6 alkoxy group and a C 1-6 alkylsulfanyl group, R 2 represents a C 6-10 aryl group; or a C 6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, hydroxy group, a C 1-6 alkyl group, a halogenated C 1-6 alkyl group, a C 1-6 alkoxy group, a halogenated C 1-6 alkoxy group, a C 1-6 alkylsulfanyl group and phenyl group, X represents a single bond or oxygen atom, Z represents a phenylene group or a substituted phenylene group, m represents 0 or 1.

  由以下一般式(I)表示的化合物或其盐，或其水合物或其溶剂合物，具有对纤溶酶原激活酶抑制剂-1（PAI-1）的抑制作用：其中R1表示一个C6-10芳基团；或一个C6-10芳基团，该芳基团取代为从卤原子、氰基、硝基、C1-6烷基、卤代C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基和C1-6烷基硫基等组成的组或组合物，R2表示一个C6-10芳基团；或一个C6-10芳基团，该芳基团取代为从卤原子、羟基、C1-6烷基、卤代C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、C1-6烷基硫基和苯基等组成的组或组合物，X表示一个单键或氧原子，Z表示一个苯基或取代苯基，m表示0或1。
• PAI-1 INHIBITOR
  申请人：Yamaguchi Youichi

  公开号：US20090312315A1

  公开（公告）日：2009-12-17

  The compound represented by the following formula (I) and the like have PAI-1 inhibition activity; wherein: R 1 represents a C 6-10 aryl group which may be substituted or the like; T represents a single bond or the like; m represents 0 or 1; when m is 0, G represents —N—C(═O)—CO 2 H or the like; when m is 1, G represents an oxygen atom or the like; R 2 represents a C 6-10 aryl group which may be substituted or the like; E represents the following formula (II) wherein one of R 31 , R 32 , R 33 and R 34 represents the formula R 1 -T-, each of the other three independently represents a hydrogen atom or the like, and R 35 represents the formula —X—Y′, a hydrogen atom or the like; X represents —CH 2 — or the like; Y′ represents a carboxy group or the like; M represents a single bond or the like.

  以下公式（I）表示的化合物及类似化合物具有PAI-1抑制活性；其中：R1代表可能被取代的C6-10芳基或类似基团；T代表单键或类似键；m代表0或1；当m为0时，G代表—N—C(═O)—CO2H或类似基团；当m为1时，G代表氧原子或类似基团；R2代表可能被取代的C6-10芳基或类似基团；E代表以下公式（II），其中R31、R32、R33和R34中的一个代表公式R1-T-，其余三个分别独立地代表氢原子或类似基团，R35代表公式—X—Y′，氢原子或类似基团；X代表—CH2—或类似基团；Y′代表羧基或类似基团；M代表单键或类似键。
• Compound
  申请人：Vicker Nigel

  公开号：US20090023710A1

  公开（公告）日：2009-01-22

  There is provided a compound having Formula (I) wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are independently selected from (a) H, (b) R 17 , —OC(R 17 ) 3 , —OCH(R 17 ) 2 , —OCH 2 R 17 , —C(R 17 ) 3 , —CH(R 17 ) 2 , or —CH 2 R 17 wherein R 17 is a halogen; (c) —CN; (d) optionally substituted alkyl, (e) optionally substituted heteroalkyl; (f) optionally substituted aryl; (g) optionally substituted heteroaryl; (h) optionally substituted arylalkyl; (i) optionally substituted heteroarylalkyl; (j) hydroxy; (k) alkoxy; (l) aryloxy; (m) —SO 2 -alkyl; and (n) —N(R 11 )C(O)R 13 ; wherein the optional substituents of (d) (e) (f) (h) and (i) are selected from the group consisting of: C 1-6 alkyl, halo, cyano, nitro, haloalkyl, hydroxy, alkoxy, carboxy, carboxyalkyl, carboxamide, mercapto, amino, alkylamino, dialkylamino, sulfonyl, sulfonamido, aryl and heteroaryl; each of rings A and B are selected from five or six membered carbon rings optionally containing one or more hetero atoms selected from N, S, and O and optionally having fused thereto a further ring; X is an optional group selected from O, S, S═O, S(═O) 2 , C═O, S(═O) 2 NR 8 , C═ONR 9 , NR 10 , wherein R 8 , R 9 and R 10 are independently selected from H and hydrocarbyl, wherein n and p are independently selected from 0 and 1; Y is (R 11 ) 1-3 wherein each R 11 is independently selected from NR 12 , CR 13 R 14 , S(═O) 2 and C═O, wherein R 12 , R 13 and R 14 are independently selected from Hand hydrocarbyl; Z is selected from (i) six or seven membered ring containing carbon and at least one nitrogen, which may be optionally substituted wherein the substituents may together form further ring fused thereto; and (ii) a —R 15 —NR 16 — group wherein R 15 is an optionally substituted C 1-6 alkyl chain and R 16 is selected from H and hydrocarbyl; and R 3 is selected from Formula (A).

  提供了一种具有公式（I）的化合物，其中R1、R2、R3、R4、R5、R6和R7中的每一个独立地选择自（a）H、（b）R17、—OC（R17）3、—OCH（R17）2、—OCH2R17、—C（R17）3、—CH（R17）2或—CH2R17，其中R17是卤素；（c）—CN；（d）可选取代的烷基；（e）可选取代的杂基烷基；（f）可选取代的芳基；（g）可选取代的杂芳基；（h）可选取代的芳基烷基；（i）可选取代的杂芳基烷基；（j）羟基；（k）烷氧基；（l）芳氧基；（m）—SO2-烷基；和（n）—N（R11）C（O）R13；其中（d）（e）（f）（h）和（i）的可选取代基团选自以下组中的一种：C1-6烷基，卤素，氰基，硝基，卤代烷基，羟基，烷氧基，羧基，羧基烷基，羧酰胺，硫醇基，氨基，烷基氨基，二烷基氨基，磺酰基，磺酰胺基，芳基和杂芳基；环A和环B中的每一个都选择自五元或六元碳环，可选地含有一个或多个N、S和O杂原子，并且可选地与另一个环融合；X是可选的基团，选择自O、S、S═O、S（═O）2、C═O、S（═O）2NR8、C═ONR9、NR10，其中R8、R9和R10各自独立地选择自H和烃基，其中n和p各自独立地选择自0和1；Y是（R11）1-3，其中每个R11各自独立地选择自NR12、CR13R14、S（═O）2和C═O，其中R12、R13和R14各自独立地选择自H和烃基；Z选择自（i）含有碳和至少一个氮的六元或七元环，可以选择地取代，其中取代基可以共同形成进一步融合的环；和（ii）一个—R15—NR16—基团，其中R15是可选取代的C1-6烷基链，而R16选择自H和烃基；而R3选择自公式（A）。
• Heterocyclic compounds as inhibitors of 17beta-HSD3
  申请人：Sterix Limited

  公开号：US08119627B2

  公开（公告）日：2012-02-21

  There is provided a compound having Formula (I) wherein each of rings A and B is selected from five or six membered carbon rings optionally containing one or more hetero atoms selected from N, S, and O and optionally having fused thereto a further ring; X is an optional group selected from O, S, —S═O, —S(═O)2, —C═O, —S(═O)2NR8, —C═ONR9, and —NR10, wherein n and p are independently selected from 0 and 1; Y is (R11)1-3 wherein each R11 is independently selected from —NR12, —CR13R14, —S(═O)2 and —C═O; Z is selected from (i) six or seven membered ring containing carbon and at least one nitrogen, which may be optionally substituted wherein the substituents may together form further ring fused thereto; and (ii) a —R15—NR16— group.

  提供了一个化合物，其化学式为（I），其中环A和B分别选自含有N、S、O等一种或多种杂原子的五元或六元碳环，且可选择进一步融合的环；X是可选的基团，选自O、S、—S═O、—S(═O)2、—C═O、—S(═O)2NR8、—C═ONR9和—NR10，其中n和p独立地选自0和1；Y是(R11)1-3，其中每个R11独立地选自—NR12、—CR13R14、—S(═O)2和—C═O；Z选自（i）含有碳和至少一个氮的六元或七元环，可选择进行取代，其中取代基可共同形成进一步融合的环；以及（ii）一个—R15—NR16—基团。
• N-PHENYLOXAMIDIC ACID DERIVATIVE
  申请人：Institute of Medicinal Molecular Design, Inc.

  公开号：EP2072498A1

  公开（公告）日：2009-06-24

  A compound represented by the following general formula (I) or a salt thereof, or a hydrate thereof or a solvate thereof having an inhibitory action against plasminogen activator inhibitor-1 (PAI-1): wherein R1 represents a C6-10 aryl group; or a C6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, cyano group, nitro group, a C1-6 alkyl group, a halogenated C1-6 alkyl group, a C1-6 alkoxy group, a halogenated C1-6 alkoxy group and a C1-6 alkylsulfanyl group, R2 represents a C6-10 aryl group; or a C6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, hydroxy group, a C1-6 alkyl group, a halogenated C1-6 alkyl group, a C1-6 alkoxy group, a halogenated C1-6 alkoxy group, a C1-6 alkylsulfanyl group and phenyl group, X represents a single bond or oxygen atom, Z represents a phenylene group or a substituted phenylene group, m represents 0 or 1.

  由下式通式（I）代表的化合物或其盐或其水合物或其溶液，对纤溶酶原激活物抑制剂-1（PAI-1）具有抑制作用： 其中 R1 代表 C6-10 芳基；或被选自卤素原子、氰基、硝基、C1-6 烷基、卤代 C1-6 烷基、C1-6 烷氧基、卤代 C1-6 烷氧基和 C1-6 烷硫基的一个或多个基团取代的 C6-10 芳基，R2 代表 C6-10 芳基；或被选自卤素原子、羟基、C1-6 烷基、卤代 C1-6 烷基、C1-6 烷氧基、卤代 C1-6 烷氧基、C1-6 烷硫基和苯基的一个或多个基团取代的 C6-10 芳基，X 代表单键或氧原子，Z 代表亚苯基或取代的亚苯基，m 代表 0 或 1。