1,1,1-三氟-2-三丁基锡丙烯 | 156628-75-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 中文名称: 1,1,1-三氟-2-三丁基锡丙烯
• 英文名称: tributyl[1-(trifluoromethyl)ethenyl]stannane
• CAS: 156628-75-0
• 化学式: C₁₅H₂₉F₃Sn
• 分子量: 385.1
• InChiKey: BCJONLQJBPLMNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.49
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 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-(4-cyclopentyl-4-penten-1-yl)-2-iodobenzene 、 1,1,1-三氟-2-三丁基锡丙烯 在 palladium diacetate copper(l) iodide 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-cyclopentyl-1-[2-(trifluoromethyl)-2-propen-1-yl]-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  Non-steroidal glucocorticoid agonists—The discovery of aryl pyrazoles as A-ring mimetics

  摘要：

  Starting from an established series of non-steroidal glucocorticoid receptor (GR) agonists, a large array was designed where a metabolically labile benzoxazinone moiety was replaced. Initial hits bound to GR but lacked agonist activity. Following two further iterations, potent GR agonists were discovered with 20D1E1 having NF kappa B agonism pIC(50) 8-8 (103%). Other analogues such as 23D1E1 display a dissociated profile (NF kappa B pIC(50) 8.1 (103%), MMTV pEC(50) 7.02 (36%)). The tetrahydronaphthalene moiety can also be replaced with substituted aryls such as 24E1 and 25E1. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.066
• 作为产物：
  描述：

  2-溴-3,3,3-三氟丙烯 、 三丁基锡锂 以90%的产率得到
  参考文献：
  名称：

  Xu Yuanyao, Jin Fuqiang, Huang Weiyuan, J. Org. Chem, 59 (1994) N 9, S 2638-2641

  摘要：

  DOI：

文献信息

• [EN] TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE TÉTRAHYDRONAPHTHALÈNE SERVANT DE MODULATEURS DU RÉCEPTEUR DES GLUCOCORTICOÏDES
  申请人：GLAXO GROUP LTD

  公开号：WO2006015870A1

  公开（公告）日：2006-02-16

  The present invention is directed to compounds of formula (I): wherein R represents a methyl or an ethyl group X represents N, C-H or C-CH3 when X represents C-H or C-CH3, Y represents N when X represents N, Y represents C-H and physiologically functional derivatives thereof, pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明涉及以下式（I）的化合物：其中R代表甲基或乙基基团，X代表N、C-H或C-CH3，当X代表C-H或C-CH3时，Y代表N，当X代表N时，Y代表C-H以及其生理功能衍生物，包括该化合物的药物组合物，该化合物用于制备药物，特别用于治疗炎症和/或过敏症状，该化合物的制备方法以及用于制备该化合物的化学中间体。
• Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators
  申请人：Edwards Christine

  公开号：US20070224130A1

  公开（公告）日：2007-09-27

  The present invention is directed to compounds of formula (I): wherein R represents a methyl or an ethyl group X represents N, C—H or C—CH 3 when X represents C—H or C—CH 3 , Y represents N when X represents N, Y represents C—H and physiologically functional derivatives thereof, pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明涉及化合物公式(I)：其中R代表甲基或乙基基团，X代表N、C-H或C-CH3，当X代表C-H或C-CH3时，Y代表N，当X代表N时，Y代表C-H及其生理功能衍生物，包括该化合物的制药组合物，用于制造药物的化合物，特别是用于治疗炎症和/或过敏症状的药物，制备该化合物的过程以及制造该化合物的化学中间体。
• Tetrahydro-naphthalene derivatives as glucocorticoid receptor modulators
  申请人：Glaxo Group Limited

  公开号：US07902224B2

  公开（公告）日：2011-03-08

  The present invention is directed to compounds of formula (I): wherein R represents a methyl or an ethyl group X represents N, C—H or C—CH3 when X represents C—H or C—CH3, Y represents N when X represents N, Y represents C—H and physiologically functional derivatives thereof, pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明涉及以下式子的化合物(I)：其中，R代表甲基或乙基基团，X代表N、C-H或C-CH3，当X代表C-H或C-CH3时，Y代表N；当X代表N时，Y代表C-H，以及其生理功能衍生物，包含该化合物的制药组合物，使用该化合物制造药物，特别是用于治疗炎症和/或过敏症的药物，制备该化合物的过程以及制造该化合物的化学中间体。
• Efficient hydrostannation of fluorinated alkenes
  作者：Xinzi Pan、Maria Talavera、Thomas Braun

  DOI：10.1016/j.jfluchem.2023.110116

  日期：2023.4

  reactions of a variety of fluoroalkenes using HSnBu3 and UV irradiation have been developed. The reactions occur under mild conditions via a radical chain pathway in good yields and with moderate selectivity. In addition, the synthesis of tin derivatives of fluorinated alkenes was investigated in order to study their applicability for Stille type cross-coupling reactions.

  已经开发了使用 HSnBu 3和紫外线照射的多种氟代烯烃的氢化锡化反应。反应在温和条件下通过自由基链途径发生，产率高，选择性适中。此外，研究了氟化烯烃的锡衍生物的合成，以研究它们在 Stille 型交叉偶联反应中的适用性。
• Nonsteroidal Glucocorticoid Agonists: Tetrahydronaphthalenes with Alternative Steroidal A-Ring Mimetics Possessing Dissociated (Transrepression/Transactivation) Efficacy Selectivity
  作者：Keith Biggadike、Mohamed Boudjelal、Margaret Clackers、Diane M. Coe、Derek A. Demaine、George W. Hardy、Davina Humphreys、Graham G. A. Inglis、Michael J. Johnston、Haydn T. Jones、David House、Richard Loiseau、Deborah Needham、Philip A. Skone、Iain Uings、Gemma Veitch、Gordon G. Weingarten、Iain M. McLay、Simon J. F. Macdonald

  DOI：10.1021/jm070778w

  日期：2007.12.27

  The synthesis and biological activity of tetrahydronaphthalene derivatives coupled to various heterocycles are described. These compounds are potent glucocorticoid receptor agonists with efficacy selectivity in an NF kappa B glucocorticoid receptor (GR) agonist assay (representing transrepression effects) over an MMTV GR agonist assay (representing transactivation effects). Quinolones, indoles, and C- and N-linked quinolines are some of the heterocycles that provide efficacy selectivity. For example, the isoquinoline 49D1E2 has NF kappa B agonism with pIC(50) of 8.66 (89%) and reduced efficacy in MMTV agonism (6%), and the quinoline 55D1E1 has NF kappa B agonism with pIC(50) of 9.30 (101%) and reduced efficacy in MMTV agonism with pEC(50) of 8.02 (47%). A description of how a compound from each class is modeled in the active site of the receptor is given.