1-(2,2-Dimethyl-propyl)-4-iodo-benzene | 863328-46-5

• 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: 1-(2,2-Dimethyl-propyl)-4-iodo-benzene
• 英文别名: 1-(2,2-Dimethylpropyl)-4-iodobenzene
• CAS: 863328-46-5
• 化学式: C₁₁H₁₅I
• 分子量: 274.145
• InChiKey: BLWKUEAUYNUANU-UHFFFAOYSA-N

物化性质

• 沸点：
  255.4±9.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  5-乙炔-2-脱氧尿苷 、 1-(2,2-Dimethyl-propyl)-4-iodo-benzene 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 以30%的产率得到6-[4-(2,2-Dimethyl-propyl)-phenyl]-3-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3H-furo[2,3-d]pyrimidin-2-one
  参考文献：
  名称：

  Bicyclic nucleoside inhibitors of Varicella–Zoster virus: The effect of branching in the p-alkylphenyl side chain

  摘要：

  Further to the discovery of bicyclic furanopyrimidine nucleoside analogues (BCNAs) as potent anti-VZV agents, a branched series of this family of compounds was synthesised. The aim was to study the impact of the geometry and steric hindrance in the side chain as well as lipophilic role of this moiety on biological activity. The results showed a detrimental effect of branching on antiviral activity, with a different magnitude depending on the position of branching in the side chain. This study again showed the importance of this moiety for biological activity, as well as the limited efficacy of the ClogP value as a tool for predicting the potency of BCNAs, while suggesting an alternative rationale behind the design of future series. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.071
• 作为产物：
  描述：

  (2,2-二甲基丙基)苯 在 silver(I) nitrite 、 碘 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以96%的产率得到1-(2,2-Dimethyl-propyl)-4-iodo-benzene
  参考文献：
  名称：

  Bicyclic nucleoside inhibitors of Varicella–Zoster virus: The effect of branching in the p-alkylphenyl side chain

  摘要：

  Further to the discovery of bicyclic furanopyrimidine nucleoside analogues (BCNAs) as potent anti-VZV agents, a branched series of this family of compounds was synthesised. The aim was to study the impact of the geometry and steric hindrance in the side chain as well as lipophilic role of this moiety on biological activity. The results showed a detrimental effect of branching on antiviral activity, with a different magnitude depending on the position of branching in the side chain. This study again showed the importance of this moiety for biological activity, as well as the limited efficacy of the ClogP value as a tool for predicting the potency of BCNAs, while suggesting an alternative rationale behind the design of future series. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.071

文献信息

• Macrocyclic Modulators of the Ghrelin Receptor
  申请人：Ocera Therapeutics, Inc.

  公开号：US20180110824A1

  公开（公告）日：2018-04-26

  The present invention provides novel conformationally-defined macrocyclic compounds that have been demonstrated to be selective modulators of the ghrelin receptor (growth hormone secretagogue receptor, GHS-R1a and subtypes, isoforms and variants thereof). Methods of synthesizing the novel compounds are also described herein. These compounds are useful as agonists of the ghrelin receptor and as medicaments for treatment and prevention of a range of medical conditions including, but not limited to, metabolic and/or endocrine disorders, gastrointestinal disorders, cardiovascular disorders, obesity and obesity-associated disorders, central nervous system disorders, genetic disorders, hyperproliferative disorders and inflammatory disorders.

  本发明提供了一种新颖的构象定义明确的大环化合物，已经证明是生长激素分泌素受体（GHS-R1a及其亚型、异构体和变体）的选择性调节剂。本文还描述了合成这些新型化合物的方法。这些化合物可用作生长激素分泌素受体的激动剂，用于治疗和预防一系列医疗状况，包括但不限于代谢和/或内分泌紊乱、胃肠道紊乱、心血管疾病、肥胖和与肥胖相关的疾病、中枢神经系统疾病、遗传疾病、过度增殖性疾病和炎症性疾病。
• The synthesis of [18F]fluoroarenes from the reaction of cyclotron-produced [18F]fluoride ion with diaryliodonium salts
  作者：Aneela Shah、Victor W. Pike、David A. Widdowson

  DOI：10.1039/a802349b

  日期：——

  Diaryliodonium salts have been shown to react with fluoride ion at 80 °C in acetonitrile to generate aryl fluorides. The regioselectivity is controlled electronically and by the bulk of the ortho-substituents on the rings, with the latter the dominant factor such that electron-rich rings can be fluorinated. ortho-Substituted aryl fluorides can be selectively produced from unsymmetrical diaryliodonium salts. The

  已显示二芳基碘鎓盐在80°C的乙腈中与氟离子反应生成芳基氟化物。区域选择性由电子控制，并由环上的大部分邻位取代基控制，后者是主导因素，因此富电子环可被氟化。可以从不对称的二芳基碘鎓盐中选择性地制备邻位取代的芳基氟化物。该方法已用于通过回旋加速器生成的[ 18 F]氟离子合成[ 18 F]标记的芳族化合物。
• SUBSTITUTED IMIDAZOLES
  申请人：CHUBB NATHAN ANTHONY LOGAN

  公开号：US20070167506A1

  公开（公告）日：2007-07-19

  This invention relates to a range of alpha substituted 2-benzyl substituted imidazole compounds and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes for their synthesis and their use as parasiticides.

  本发明涉及一系列α取代的2-苄基取代咪唑化合物及其药用可接受盐和溶剂化合物，包括这些化合物的组合物、合成过程以及它们作为驱虫剂的用途。
• QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Beshore Douglas C.

  公开号：US20120196845A1

  公开（公告）日：2012-08-02

  The present invention is directed to quinolinone-pyrazolone compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及公式（I）的喹啉酮-吡唑酮化合物，它们是M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包括上述化合物的制药组合物，以及在治疗M1受体介导的疾病中使用上述化合物和组合物的方法。
• MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR
  申请人：TRANZYME PHARMA INC.

  公开号：US20130211045A1

  公开（公告）日：2013-08-15

  The present invention provides novel conformationally-defined macrocyclic compounds that have been demonstrated to be selective modulators of the ghrelin receptor (growth hormone secretagogue receptor, GHS-R1a and subtypes, isoforms and variants thereof). Methods of synthesizing the novel compounds are also described herein. These compounds are useful as agonists of the ghrelin receptor and as medicaments for treatment and prevention of a range of medical conditions including, but not limited to, metabolic and/or endocrine disorders, gastrointestinal disorders, cardiovascular disorders, obesity and obesity-associated disorders, central nervous system disorders, genetic disorders, hyperproliferative disorders and inflammatory disorders.

  本发明提供了一种新型构象定义的大环化合物，已经被证明是生长激素分泌肽受体（GHS-R1a和其亚型、同工异构体和变异体）的选择性调节剂。本文还描述了合成这些新化合物的方法。这些化合物可用作生长激素分泌肽受体的激动剂，以及用于治疗和预防一系列医学疾病，包括但不限于代谢和/或内分泌紊乱、胃肠道疾病、心血管疾病、肥胖和肥胖相关疾病、中枢神经系统疾病、遗传疾病、过度增生性疾病和炎症性疾病。