benzyl-neopentyl ether | 173976-65-3

• 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: benzyl-neopentyl ether
• 英文别名: Benzyl-neopentyl-aether；Benzene, [(2,2-dimethylpropoxy)methyl]-；2,2-dimethylpropoxymethylbenzene
• CAS: 173976-65-3
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: UWUKUFGWTFKPMT-UHFFFAOYSA-N

物化性质

• 沸点：
  217-219 °C
• 密度：
  0.915±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  新戊醇 在 1,4-二氧六环 、 氨 、 氢化钾 作用下， 生成 benzyl-neopentyl ether
  参考文献：
  名称：

  Rearrangement of Benzyl Ethers to Carbinols by Potassium Amide. Mechanism of Isomerization of Carbanions Involving 1,2-Shifts^1,2,3

  摘要：

  DOI：

  10.1021/ja01148a011

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。
• [EN] COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF<br/>[FR] COMPOSÉS, CONJUGUÉS ET COMPOSITIONS D'ÉPIPOLYTHIODICÉTOPIPÉRAZINES ET DE POLYTHIODICÉTOPIPÉRAZINES ET LEURS UTILISATIONS
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2020247054A1

  公开（公告）日：2020-12-10

  The present disclosure provides, e.g., compounds, compositions, kits, methods of synthesis, and methods of use, involving epipolythiodiketopiperazines and polythiodiketopiperazines.

  本公开提供了涉及epipolythiodiketopiperazines和polythiodiketopiperazines的化合物、组合物、试剂盒、合成方法和使用方法。
• Zeolite-Promoted Benzylation of Alcohols
  作者：Makoto Onaka、Motomitsu Kawai、Yusuke Izumi

  DOI：10.1246/bcsj.59.1761

  日期：1986.6

  Zeolite-promoted benzylation of alcohols with benzyl chloride has been investigated. By use of a series of cation-exchanged zeolites, which have the same crystalline structure but different acid and base properties, it is confirmed that the cooperative function of acid sites and base sites of zeolite is required for the effective benzylation of alcohols although both acid and base strengths are low. It is also found that alcohols show different reactivities in zeolite from those in solution depending on their molecular structures because the benzylation is promoted inside the narrow cavities of zeolite.

  沸石促进的苯甲基氯与醇的苄基化反应已被研究。通过使用一系列阳离子交换的沸石，这些沸石具有相同的晶体结构但不同的酸碱性质，证实了尽管酸和碱的强度较低，但沸石的酸位点和碱位点的协同作用对于醇的有效苄基化反应是必要的。还发现，由于苄基化反应在沸石的狭窄孔道内得到促进，醇在沸石中的反应活性与在溶液中不同，这取决于它们的分子结构。
• PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20150361068A1

  公开（公告）日：2015-12-17

  The present application provides the compounds of formula (J), or pharmaceutically acceptable salts, isomers, tautomer, or a mixture thereof, wherein n, W, A′, B′, R 1 , R 2 , and R 3 are described herein. The compounds are inhibitors to the activities of phosphatidylinositol 3-kinase (PI3K) and are useful for treating conditions mediated by one or more PI3K isoforms. The present application further provides pharmaceutical compositions that include a compound of formula (I), or pharmaceutically acceptable salts, isomers, tautomer, or mixture thereof, and methods of using these compounds and compositions for treating conditions mediated by one or more PI3K isoforms.

  本申请提供了式（J）的化合物，或其药学上可接受的盐、异构体、互变异构体或其混合物，其中n、W、A′、B′、R1、R2和R3如本文所述。这些化合物是磷脂酰肌醇3-激酶（PI3K）活性的抑制剂，可用于治疗由一个或多个PI3K同工型介导的疾病。本申请还提供了包括式（I）的化合物、或其药学上可接受的盐、异构体、互变异构体或其混合物的药物组合物，以及使用这些化合物和组合物治疗由一个或多个PI3K同工型介导的疾病的方法。
• Fused Heterocyclic Compounds as Ion Channel Modulators
  申请人：Kobayashi Tetsuya

  公开号：US20120010192A1

  公开（公告）日：2012-01-12

  The present disclosure relates to compounds that are sodium channel inhibitors and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula I: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.

  本公开涉及一类是钠通道抑制剂的化合物，以及它们在治疗各种疾病状态中的应用，包括心血管疾病和糖尿病。在特定实施例中，该类化合物的结构由式I给出：其中R1、R2、R3、R4和R5如本文所述，以及制备和使用该类化合物的方法，以及含有这些化合物的药物组合物。