环丁基溴化镁 | 13384-48-0

• 物质功能分类: 有机原料 - 有机金属盐
• 分子结构分类: 有机化合物
• 中文名称: 环丁基溴化镁
• 英文名称: magnesium,cyclobutane,bromide
• 英文别名: cyclobutylmagnesium bromide；cyclobutyl magnesium bromide；bromo(cyclobutyl)magnesium
• CAS: 13384-48-0
• 化学式: C₄H₇BrMg
• 分子量: 159.309
• InChiKey: XGPMCVZJKYCZED-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  6.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  环丁基溴化镁 在 四氯化硅 作用下， 以 乙醚 为溶剂， 生成 cyclobutyl trichlorosilane
  参考文献：
  名称：

  Conformational and structural studies of cyclobutylsilane from temperature dependent infrared spectra of xenon solutions and ab initio calculations

  摘要：

  The infrared spectra (3500-220 cm(-1)) in the gas phase of cyclobutylsilane, c-C4H7SiH3 has been recorded. Variable temperature (-65 to -100 degrees C) studies of the infrared spectra (3500-400 cm(-1)) dissolved in liquid xenon have been carried out. From these data, both the equatorial and axial conformers have been identified and their relative stability obtained. The enthalpy difference has been determined from 15 band pairs to be 67 +/- 7 cm(-1) (0.81 +/- 0.08 kJ mol(-1)) with the equatorial conformer the more stable form. The percentage of the axial conformer is estimated to be 42 +/- 1% at ambient temperature. The conformational stabilities have been predicted from ab initio calculations utilizing several different basis sets up to aug-cc-pVTZ from both MP2(full) and density functional theory calculations by the B3LYP method. By utilizing previously reported microwave rotational constants along with ab initio MP2(full)/6-311+G(d,p) predicted structural values, adjusted r(0) parameters have been obtained for both conformers. The determined heavy atom distances (angstrom) for the equatorial [axial] form are Si-C-alpha = 1.879(3) [1.884(3)], C-alpha-C-beta, C-beta' = 1.562(3) [1.561(3)], C-gamma-C-beta, C-beta' = 1.551(3) [1.553(3)] and angles in degrees (degrees) angle SiC alpha C beta = 118.6(5) [113.2(5)], angle C beta C alpha C beta' = 88.2(5) [88.4(5)], angle C alpha C beta C gamma = 87.8(5) [88.9(5)], angle C beta C gamma C beta' = 88.9(5) [89.0(5)] and a puckering angle of 29.0(5) [23.5(5)]. Support for the vibrational studies have been provided from MP2(full)/6-31G(d) ab initio calculations to predict harmonic force constants, fundamental wavenumbers, infrared intensities, Raman activities and depolarization ratios for both conformers. The results are discussed and compared to the corresponding properties of some related molecules. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.09.014
• 作为产物：
  描述：

  环丁基溴 在 magnesium 、 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 生成 环丁基溴化镁
  参考文献：
  名称：

  使用有机镁试剂进行铬 (II) 催化的非对映选择性和化学选择性 Csp2-Csp3 交叉偶联

  摘要：

  已开发出一种在环境温度下用环己基碘对芳基镁卤化物进行铬催化的高度非对映选择性烷基化的简单方案。此外，这种不含配体的 CrCl2 能够使伯、仲和叔烷基卤化镁与容易获得的乙酸烯基酯进行有效的亲电烯基化。此外，这种与立体定义的烯基乙酸酯的化学选择性 C-C 偶联反应以立体保留方式进行。烷基碘化物和烯基乙酸酯上的各种官能团具有良好的耐受性，从而以良好的收率和高非对映选择性提供官能化的 Csp2-Csp3 偶联产物。详细的机理研究表明，原位生成的低价铬 (I) 物种可能是这些 Csp2-Csp3 交叉偶联的活性催化剂。

  DOI：

  10.1021/jacs.9b08586
• 作为试剂：
  描述：

  bicyclo<2.2.1>hept-2-en-7-one 在 环丁基溴化镁 作用下， 生成 (1R,4S,7R)-Bicyclo[2.2.1]hept-2-en-7-ol
  参考文献：
  名称：

  Feiner,N.F. et al., Canadian Journal of Chemistry, 1976, vol. 54, p. 3955 - 3977

  摘要：

  DOI：

文献信息

• Dibenzyl Amine Compounds and Derivatives
  申请人：Chang George

  公开号：US20070213371A1

  公开（公告）日：2007-09-13

  Dibenzyl amine compounds and derivatives, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans.

  二苯基胺化合物及其衍生物，含有这种化合物的药物组合物以及使用这种化合物提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他一些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病在某些哺乳动物，包括人类。
• [EN] HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES ET COMBINAISONS EN CONTENANT
  申请人：3 V BIOSCIENCES INC

  公开号：WO2015095767A1

  公开（公告）日：2015-06-25

  Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

  提供了杂环调节剂脂质合成以及其药用盐；包括这些化合物的药物组合物；以及通过给予这些化合物和其他治疗剂的组合来治疗脂肪酸合酶途径失调症状的方法。
• [EN] COMPOUNDS, COMPOSITIONS AND METHODS FOR SYNTHESIS<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS DE SYNTHÈSE
  申请人：WAVE LIFE SCIENCES LTD

  公开号：WO2018237194A1

  公开（公告）日：2018-12-27

  The present disclosure, among other things, provides technologies for synthesis, including reagents and methods for stereoselective synthesis. In some embodiments, the present disclosure provides compounds useful as chiral auxiliaries. In some embodiments, the present disclosure provides reagents and methods for oligonucleotide synthesis. In some embodiments, the present disclosure provides reagents and methods for chirally controlled preparation of oligonucleotides. In some embodiments, technologies of the present disclosure are particularly useful for constructing challenging internucleotidic linkages, providing high yields and stereoselectivity.

  本公开内容提供了合成技术，包括用于立体选择性合成的试剂和方法。在某些实施例中，本公开内容提供了作为手性辅助剂有用的化合物。在某些实施例中，本公开内容提供了用于寡核苷酸合成的试剂和方法。在某些实施例中，本公开内容提供了用于手性控制寡核苷酸制备的试剂和方法。在某些实施例中，本公开内容的技术特别适用于构建具有挑战性的核苷酸间连接，提供高产率和立体选择性。
• Oxazolidinone antibacterial agents having a thiocarbonyl functionality
  申请人：Pharmacia and Upjohn Company

  公开号：US06342513B1

  公开（公告）日：2002-01-29

  The present invention provides compounds of Formula 1: or pharmaceutical acceptable salts thereof wherein A, G and R1 are as defined in the claims which are antibacterial agents.

  本发明提供了式1化合物： 或药物可接受的盐，其中A，G和R1如权利要求中所定义，它们是抗菌剂。
• [EN] BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS PAR HÉTÉROARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018013774A1

  公开（公告）日：2018-01-18

  Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

  公开了公式(I)至(VIII)的化合物：(I) (II) (III) (IV) (V) (VI) (VII) (VIII)；或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中R3是与0至3个R3a取代的双环杂芳基团；且R1、R2、R3a、R4和n在此定义。还公开了使用这些化合物作为PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物用于抑制或预防血小板聚集，用于治疗血栓栓塞障碍或作为血栓栓塞障碍的初级预防。