1-bromo-12,12,12-dtrifluorododecane | 102684-53-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1-bromo-12,12,12-dtrifluorododecane
• 英文别名: 1-bromo-12,12,12-trifluorododecane；12-bromo-1,1,1-trifluoro-dodecane；12,12,12-trifluorododecyl bromide；1-Brom-12,12,12-trifluordodecan；Dodecane, 12-bromo-1,1,1-trifluoro-；12-bromo-1,1,1-trifluorododecane
• CAS: 102684-53-7
• 化学式: C₁₂H₂₂BrF₃
• 分子量: 303.206
• InChiKey: UCZFHZNOZDDGME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-bromo-12,12,12-dtrifluorododecane 在 chromium(VI) oxide 、 盐酸 、 sodium hydroxide 、 lithium 、 溶剂黄146 、 mercury dichloride 、 锌 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 34.0h， 生成 12,12,12-三氟十二烷酸
  参考文献：
  名称：

  Dissociative and Reactive Hyperthermal Ion−Surface Collisions with Langmuir−Blodgett Films Terminated by CF₃(CH₂)_n−, n-Perfluoroalkyl, or n-Alkyl Groups

  摘要：

  Langmuir-Blodgett (L-B) films prepared from 18,18,18-trifluorooctadecanoic acid [CF3(CH2)(16)-COOH], perfluorotetradecanoic acid [n-C13F27COOH], or octadecanoic acid [n-C17H35COOH] were used as target surfaces for hyperthermal ion-surface collisions. The synthesis of 18,18,18-trifluorooctadecanoic acid and the preparation of the L-B film from this compound using a subphase containing Al3+ are reported in this paper. The Ion-surface collision results show that the outermost surface group, namely CF3 vs CH3, is the main determinant for the efficiency of both energy transfer and electron transfer during low-energy(e.g., 10-100 eV) polyatomic ion-surface collisions. For atomic projectile ions, there is evidence of penetration into a depth of the films.

  DOI：

  10.1021/ja990719a
• 作为产物：
  描述：

  10-烯酸甲酯 在 lithium aluminium tetrahydride 、 Raney Ni (W-2) 、 硫酸 、 氢溴酸 、 nickel dichloride 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 水 为溶剂， 反应 39.0h， 生成 1-bromo-12,12,12-dtrifluorododecane
  参考文献：
  名称：

  Dissociative and Reactive Hyperthermal Ion−Surface Collisions with Langmuir−Blodgett Films Terminated by CF₃(CH₂)_n−, n-Perfluoroalkyl, or n-Alkyl Groups

  摘要：

  Langmuir-Blodgett (L-B) films prepared from 18,18,18-trifluorooctadecanoic acid [CF3(CH2)(16)-COOH], perfluorotetradecanoic acid [n-C13F27COOH], or octadecanoic acid [n-C17H35COOH] were used as target surfaces for hyperthermal ion-surface collisions. The synthesis of 18,18,18-trifluorooctadecanoic acid and the preparation of the L-B film from this compound using a subphase containing Al3+ are reported in this paper. The Ion-surface collision results show that the outermost surface group, namely CF3 vs CH3, is the main determinant for the efficiency of both energy transfer and electron transfer during low-energy(e.g., 10-100 eV) polyatomic ion-surface collisions. For atomic projectile ions, there is evidence of penetration into a depth of the films.

  DOI：

  10.1021/ja990719a

文献信息

• Leukotriene antagonists
  申请人：SmithKline Beckman Corporation

  公开号：US04871771A1

  公开（公告）日：1989-10-03

  A method for inhibiting the effects of LTB.sub.4 comprises administration of an effective amount of a compound represented by the following structural formula (I) ##STR1## wherein m is 1 or 2; n is 1, 2 or 3; p is 0, 1, or 2; R' is hydrogen or methyl; R is phenyl substituted with A, R.sub.1 and R.sub.2 wherein R.sub.1 and R.sub.2 are independently selected from either (1) (S).sub.a --(CH.sub.2).sub.b --(T).sub.c --B wherein a is 0 or 1; b is 5 to 12; c is 0 or 1; S and T are independently sulfur, oxygen, or CH.sub.2 with the proviso that S or T are not sulfur when p is 1 or 2; and B is C.sub.1-4 alkyl, ethynyl, trifluoromethyl, or phenyl optionally monosubstituted with Br, Cl, CF.sub.3, C.sub.1-4 alkoxy, C.sub.1-4 alkyl, methylthio, or trifluoromethylthio; or (2) hydrogen bromo, chloro, methyl, trifluoromethyl, methoxy or nitro; and A is selected from (2) as defined above or a pharmaceutically acceptable salt thereof. Such methods are useful in the treatment of diseases in which LTB.sub.4 is a factor.

  抑制LTB.sub.4作用的方法包括施用有效量的以下结构式(I)所示的化合物：##STR1## 其中m为1或2；n为1、2或3；p为0、1或2；R'为氢或甲基；R为被A、R.sub.1和R.sub.2取代的苯基，其中R.sub.1和R.sub.2独立地选自以下任一项：(1) (S).sub.a --(CH.sub.2).sub.b --(T).sub.c --B，其中a为0或1；b为5至12；c为0或1；S和T独立地为硫、氧或CH.sub.2，但条件是当p为1或2时，S或T不是硫；B为C.sub.1-4烷基、乙炔基、三氟甲基或苯基，可选地单取代有Br、Cl、CF.sub.3、C.sub.1-4烷氧基、C.sub.1-4烷基、甲基硫基或三氟甲基硫基；或(2)氢、溴、氯、甲基、三氟甲基、甲氧基或硝基；A选自上述(2)定义的项或其药用可接受盐。此类方法可用于治疗LTB.sub.4为因素的疾病。
• Synthesis and structure-activity relationship studies of a series of 5-aryl-4,6-dithianonanedioic acids and related compounds: a novel class of leukotriene antagonists
  作者：Carl D. Perchonock、Irene Uzinskas、Mary E. McCarthy、Karl F. Erhard、John G. Gleason、Martin A. Wasserman、Roseanna M. Muccitelli、Jeris F. DeVan、Stephanie S. Tucker

  DOI：10.1021/jm00158a021

  日期：1986.8

  especially good activity. Conformational restriction of either the polar region or lipid tail produced compounds devoid of activity. A number of selected analogues were also evaluated in vivo as antagonists of LTD4-induced bronchoconstriction in the guinea pig. The data established these compounds as a novel class of leukotriene antagonists with potential utility for the treatment of asthma and other immediate

  已经制备了一系列5-炔基-和5-芳基-4,6-二硫代癸二酸和相关化合物以评估白三烯拮抗剂活性。炔基化合物是通过相应的炔属缩醛通过硫缩醛交换制备的。芳基衍生物是由适当的苯甲醛合成的，其中大多数是通过以下三种通用途径之一制备的：迈耶的恶唑啉法，钯偶联法和羟基苯甲醛烷基化。在体外检查了这些类似物拮抗LTD4诱导的豚鼠气管平滑肌收缩的能力，并与[3H] LTD4竞争豚鼠肺膜上的受体位点。这项研究发现了许多构效关系。脂质尾部和极性区域中的两个亚甲基的最佳链长为10-12个原子（或其等价物）。在芳族系列中，邻位和间位取代的化合物具有可比的活性，而对位衍生物则无活性。芳香环和脂质尾部的取代通常具有良好的耐受性，末端苯基（6）和乙炔（33）类似物的活性特别好。极性区或脂质尾部的构象限制产生了缺乏活性的化合物。在体内也评估了许多选择的类似物作为豚鼠中LTD4诱导的支气管收缩的拮抗剂。数据确定这些化合物为一类
• Leukotriene B4 antagonists
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0327306A2

  公开（公告）日：1989-08-09

  The use of compound of structure wherein m is 1 or 2; n is 1, 2 or 3; p is 0, 1, or 2; R′ is hydrogen or methyl; R is phenyl substituted with A, R₁ and R₂ wherein R₁ and R₂ are independently selected from either 1) (S)a-(CH₂)b-(T)c-B wherein a is 0 or 1; b is 5 to 12; c is 0 or 1; S and T are independently sulfur, oxygen, or CH₂ with the proviso that S or T are not sulfur when p is 1 or 2; and B is C₁₋₄alkyl, ethynyl, trifluoromethyl, or phenyl optionally monosubstituted with Br, Cl, CF₃, C₁₋₄alkoxy, C₁₋₄alkyl, methylthio, or trifluoromethylthio; or 2) hydrogen, bromo, chloro, methyl, trifluoromethyl, methoxy or nitro; and A is selected from 2) as defined above or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament having LTB₄ antagonist activity.

  使用结构如下的化合物 其中 m 是 1 或 2；n 是 1、2 或 3；p 是 0、1 或 2；R′ 是氢或甲基；R 是被 A、R₁ 和 R₂ 取代的苯基，其中 R₁ 和 R₂ 独立选自 1) (S)a-(CH₂)b-(T)c-B 其中 a 是 0 或 1；(S)-(CH₂)b-(T)c-B 其中 a 是 0 或 1； b 是 5 至 12； c 是 0 或 1； S 和 T 独立地是硫、氧或 CH₂，但当 p 是 1 或 2 时，S 或 T 不是硫；B 是 C₁₋₄烷基、乙炔基、三氟甲基或苯基，可任选与 Br、Cl、CF₃、C₁₋₄烷氧基、C₁₋₄烷基、甲硫基或三氟甲基甲硫基单取代；或 2) 氢、溴、氯、甲基、三氟甲基、甲氧基或硝基；且 A 选自如上定义的 2) 或其药学上可接受的盐，用于制造具有 LTB₄ 拮抗剂活性的药物。
• Intermediates for the preparation of leukotriene antagonists
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0358240A2

  公开（公告）日：1990-03-14

  Intermediates of structure: wherein Y is CO₂R₁₀ or CH(R₁₂)CO₂R₁₀ in which R₁₀ is an ester protective group and R₁₀ is hydrogen, methyl, methoxy or fluoro, and their use for the preparation of leukotriene antagonists.

  结构的中间体： 其中 Y 是 CO₂R₁₀ 或 CH(R₁₂)CO₂R₁₀，其中 R₁₀ 是酯保护基团，R₁₀ 是氢、甲基、甲氧基或氟，以及它们在制备白三烯拮抗剂中的用途。
• US4730005
  申请人：——

  公开号：——

  公开（公告）日：——