2-((2-allylbenzyl)oxy)tetrahydro-2H-pyran | 34708-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-((2-allylbenzyl)oxy)tetrahydro-2H-pyran
• 英文别名: 2-[(2-allylbenzyl)oxy]tetrahydro-2H-pyran；2-allylbenzyl alcohol THP ether；2H-Pyran, tetrahydro-2-[[2-(2-propenyl)phenyl]methoxy]-；2-[(2-prop-2-enylphenyl)methoxy]oxane
• CAS: 34708-50-4
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: JWGNWEIISOKMHI-UHFFFAOYSA-N

物化性质

• 沸点：
  316.6±37.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-((2-allylbenzyl)oxy)tetrahydro-2H-pyran 生成 2-烯丙基苄醇
  参考文献：
  名称：

  新叶酸、1-茚满甲基、2-烯丙基苄基和 2-(2-乙烯基苯基)乙基自由基重排的阿伦尼乌斯参数与从三丁基锡烷中夺氢有关

  摘要：

  已经确定了与从三丁基锡烷中提取氢原子相关的几种自由基重排速率的温度依赖性。2-苯基-2-甲基丙基重排为 1-苯基-2-甲基丙基-2-基（新叶酸重排）相对于夺氢反应由 log (r/M) = (2.48 +/- 0.08) - (8.13) 表示+/-0.16)/theta，theta = 2.3 RT kcal/mol。2-烯丙基苄基重排为2-茚满甲基的重排为log (r/M) = (2.32 +/- 0.16)- (10.47 +/- 0.36/theta, 2-烯丙基苄基重排为2-四烯丙基的用log表示(r/M) = (2.18 +/- 0.28) - (12.47 +/- 0.60)/theta. 1-茚满甲基重排为 2-四烯丙基由 log (r/M) = (2.65 +/- 0.12) 表示) - (11.21 +/- 0.24)/theta. 2-(2-乙烯基苯基)乙基与五元环的闭合发生在

  DOI：

  10.1021/ja00326a013
• 作为产物：
  描述：

  2-溴苄醇 在 magnesium 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 1,2-二溴乙烷 为溶剂， 反应 19.17h， 生成 2-((2-allylbenzyl)oxy)tetrahydro-2H-pyran
  参考文献：
  名称：

  带有有机硅亲核试剂的带有羟基的苯乙烯衍生物的铟催化加氢官能化

  摘要：

  加氢官能化是烯烃最重要的转化反应之一。在本文中，我们描述了使用各种类型的有机硅亲核试剂的三碘化铟催化带有羟基的烯烃的加氢官能​​化。三碘化铟是最有效的催化剂，而典型的路易斯酸（如TiCl 4，AlCl 3和BF 3 ·OEt 2）无效。成功引入了许多官能团，这些化合物的收率为31–86％。各种苯乙烯衍生物也适用于该反应。机理研究表明，目前的加氢官能​​化是通过布朗斯台德酸催化的烯烃分子内加氢烷氧基化反应进行的，然后是InI进行。环醚中间体的3-催化取代反应。

  DOI：

  10.1021/acs.joc.7b02739

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。
• Arrhenius parameters for rearrangements of the neophyl, 1-indanylmethyl, 2-allylbenzyl, and 2-(2-vinylphenyl)ethyl radicals relative to hydrogen abstraction from tributylstannane
  作者：James A. Franz、Russell D. Barrows、Donald M. Camaioni

  DOI：10.1021/ja00326a013

  日期：1984.7

  The temperature dependence of rates of several radical rearrangements relative to abstraction of hydrogen atom from tributylstannane has been determined. The rearrangement of 2-phenyl-2-methylpropyl to 1-phenyl-2-methylprop-2-yl (neophyl rearrangement) relative to hydrogen abstraction is represented by log (r/M) = (2.48 +/- 0.08) - (8.13 +/-0.16)/theta, theta = 2.3 RT kcal/mol. The rearrangement of

  已经确定了与从三丁基锡烷中提取氢原子相关的几种自由基重排速率的温度依赖性。2-苯基-2-甲基丙基重排为 1-苯基-2-甲基丙基-2-基（新叶酸重排）相对于夺氢反应由 log (r/M) = (2.48 +/- 0.08) - (8.13) 表示+/-0.16)/theta，theta = 2.3 RT kcal/mol。2-烯丙基苄基重排为2-茚满甲基的重排为log (r/M) = (2.32 +/- 0.16)- (10.47 +/- 0.36/theta, 2-烯丙基苄基重排为2-四烯丙基的用log表示(r/M) = (2.18 +/- 0.28) - (12.47 +/- 0.60)/theta. 1-茚满甲基重排为 2-四烯丙基由 log (r/M) = (2.65 +/- 0.12) 表示) - (11.21 +/- 0.24)/theta. 2-(2-乙烯基苯基)乙基与五元环的闭合发生在
• 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。
• [EN] SPIROCYCLIC-SUBSTITUTED 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT<br/>[FR] INHIBITEURS 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE À SUBSTITUTION SPIROCYCLIQUE DU MUTANT KRAS G12C
  申请人：MERCK SHARP & DOHME

  公开号：WO2022109487A1

  公开（公告）日：2022-05-27

  The disclosure provides compounds of Formula (I) or a pharmaceutically acceptable salt thereof, wherein W1, W2, Y, Z, CS, R2; and R3are as described herein. The compounds or their pharmaceutically acceptable salts can inhibit the G12C mutant of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

  该公开提供了式（I）的化合物或其药学上可接受的盐，其中W1，W2，Y，Z，CS，R2和R3如本文所述。这些化合物或其药学上可接受的盐可以抑制Kirsten大鼠肉瘤（KRAS）蛋白的G12C突变，并有望作为治疗剂，例如治疗癌症。该公开还提供了包括式（I）的化合物或其药学上可接受的盐的制药组合物。该公开还涉及使用这些化合物或其药学上可接受的盐在癌症治疗和预防中的方法，以及为此目的制备制药品的方法。
• Intermediates for macrocyclic modulators of the ghrelin receptor
  申请人：Tranzyme Pharma, Inc.

  公开号：EP2457893A1

  公开（公告）日：2012-05-30

  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.

  本发明提供了新型构象明确的大环化合物，这些化合物已被证明是胃泌素受体（生长激素分泌受体，GHS-R1a 及其亚型、同工型和变体）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。这些化合物可作为胃泌素受体的激动剂以及治疗和预防一系列疾病的药物，这些疾病包括但不限于代谢和/或内分泌失调、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、遗传性疾病、过度增殖性疾病和炎症性疾病。