methyl 2-bromo-3-cyclohexylpropanoate | 900535-40-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 2-bromo-3-cyclohexylpropanoate
• 英文别名: 2-bromo-3-cyclohexyl-propionic acid methyl ester
• CAS: 900535-40-2
• 化学式: C₁₀H₁₇BrO₂
• 分子量: 249.148
• InChiKey: DVUXMUDLAXIHAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 2-bromo-3-cyclohexylpropanoate 在 lithium aluminium tetrahydride 、 四丁基碘化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Privileged structure based ligands for melanocortin-4 receptors—Aliphatic piperazine derivatives

  摘要：

  Aliphatic carbocyclic replacement of the benzyl group of compound I yielded compounds with high affinity for the melanocortin-4 receptor (MC4R). Compounds with a cyclohexyl group showed a consistent high affinity, while different polar groups with less basicity were good replacements for the original diethyl amines. Substitution of the polar group found in these privileged structures with an aliphatic moiety produced compounds with high affinity for MC4R. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.002
• 作为产物：
  描述：

  3-环己基丙酰氯 在 N-溴代丁二酰亚胺(NBS) 、 氢溴酸 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 2-bromo-3-cyclohexylpropanoate
  参考文献：
  名称：

  Privileged structure based ligands for melanocortin-4 receptors—Aliphatic piperazine derivatives

  摘要：

  Aliphatic carbocyclic replacement of the benzyl group of compound I yielded compounds with high affinity for the melanocortin-4 receptor (MC4R). Compounds with a cyclohexyl group showed a consistent high affinity, while different polar groups with less basicity were good replacements for the original diethyl amines. Substitution of the polar group found in these privileged structures with an aliphatic moiety produced compounds with high affinity for MC4R. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.002

文献信息

• [EN] CONTRAST AGENTS<br/>[FR] AGENTS DE CONTRASTE
  申请人：BRACCO IMAGING SPA

  公开号：WO2017098038A1

  公开（公告）日：2017-06-15

  The present invention relates to new class of functionalized macrocycles capable of chelating paramagnetic metal ions, their chelated complexes with metal ions and the use thereof as contrast agents, particularly suitable for Magnetic Resonance Imaging (MRI) analysis.5

  本发明涉及一类新型的功能化大环化合物，能够螯合顺磁性金属离子，以及它们与金属离子形成的螯合络合物，以及将其用作对比剂的用途，特别适用于磁共振成像（MRI）分析。
• PYRIDAZINONE GLUCOKINASE ACTIVATORS
  申请人：Berthel Steven Joseph

  公开号：US20090264434A1

  公开（公告）日：2009-10-22

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  本文提供的是化合物的公式(I)：以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物，对于治疗代谢性疾病和紊乱（例如2型糖尿病）是有用的。
• Highly Enantioselective Access to α-Dibenzylamino Ketones from Chiral Nonracemic α-Bromo α′-Sulfinyl Ketones by Dynamic Kinetic Resolution: Synthesis of (2R,1′S)-2-[1-(Dibenzylamino)alkyl]oxiranes
  作者：Pierre-Yves Géant、Jean Martínez、Xavier J. Salom-Roig

  DOI：10.1002/ejoc.201001403

  日期：2011.3

  A novel and efficient synthesis of enantiomerically pure alpha-dibenzylamino alpha'-sulfinyl ketones starting from a mixture of both epimers of alpha-bromo alpha'-(R)-sulfinyl Ketone has been realized through combined in situ substitution-epimerization in so-called Dynamic Kinetic Resolution (DKR). The scope of the reaction has been examined, and four differently substituted alpha-(S)-dibenzylamino

  以 α-溴 α'-(R)-亚磺酰基酮的两种差向异构体的混合物为起始原料，通过原位取代-差向异构化的组合，实现了对映体纯 α-二苄基氨基 α'-亚磺酰基酮的新型高效合成动态动力学分辨率 (DKR)。已经检查了反应的范围，并以良好的收率和优异的非对映选择性获得了四种不同取代的 α-(S)-二苄基氨基 α'-(R)-亚磺酰基酮。这些衍生物的效用通过高度立体选择性合成的顺-(2R, 1'S)-2-(1-二苄基氨基烷基)环氧乙烷进一步说明。
• Glucokinase Activators
  申请人：Cheruvallath Zacharia

  公开号：US20090286800A1

  公开（公告）日：2009-11-19

  Compounds are provided for use with glucokinase that comprise the formula: wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  提供了用于与葡萄糖激酶一起使用的化合物，其化学式如下：其中变量如本文所定义。还提供了包含这些化合物的药物组合物、试剂盒和制造品；用于制备这些化合物的有用中间体和方法；以及使用这些化合物的方法。
• Pyridazinone glucokinase activators
  申请人：Hoffmann-La Roche Inc.

  公开号：US08258134B2

  公开（公告）日：2012-09-04

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  本文提供了公式（I）化合物及其药学上可接受的盐，其中取代基如规范中所述。这些化合物及含有它们的药物组合物，可用于治疗代谢性疾病和紊乱，例如2型糖尿病。