1-methoxy-4-neopentylbenzene | 26110-92-9

• 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-methoxy-4-neopentylbenzene
• 英文别名: 1-(2,2-dimethylpropyl)-4-methoxybenzene
• CAS: 26110-92-9
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: NQXBGRMIOCFRQC-UHFFFAOYSA-N

物化性质

• 沸点：
  105-106 °C(Press: 10 Torr)
• 密度：
  0.910±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  13
• 可旋转键数：
  3
• 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

• 作为反应物：
  描述：

  1-methoxy-4-neopentylbenzene 在 ammonium cerium(IV) nitrate 、 四丁基硝酸铵 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以45%的产率得到1-(2,2-Dimethyl-1-nitrooxy-propyl)-4-methoxy-benzene
  参考文献：
  名称：

  苄基自由基阳离子中碳-氢、碳-碳和碳-硅键活化的动力学评价

  摘要：

  对一系列 4-甲氧基-α-取代的甲苯自由基阳离子 (1•+) 中 C-C、C-H 和 C-Si 键断裂之间竞争的详细研究，包括产品研究和动力学分析，是呈现。乙腈中的几个自由基阳离子会发生 C-C 键断裂。此类过程的速率常数由激光闪光光解确定，从 2.8 × 104 (1c•+) 到 1.53 × 106 (1f•+) s-1 不等。C-C 键断裂的活化参数的特点是低活化焓约为 30 kJ mol-1，负活化熵在 -34 至 -55 J mol-1 K-1 范围内。自由基阳离子的去质子化始终是由亲核试剂 [硝酸铈 (IV) 硝酸铵 (CAN) 或硝酸根阴离子] 诱导的二级过程，二级速率常数从 7.7 × 107 (1h•+) 到 8。8 × 108 (1i•+) M-1 s-1 在纯乙腈中（CAN 辅助）和从 0.4 × 108 (1j•+) 到 7.1 × 108 (1i•+) M-1 s-1

  DOI：

  10.1021/ja970940s
• 作为产物：
  描述：

  1-(4-甲氧基苯基)-2,2-二甲基丙烷-1-酮 在 盐酸 、 汞 、 锌 作用下， 反应 18.0h， 生成 1-methoxy-4-neopentylbenzene
  参考文献：
  名称：

  Photochemistry of Substituted Benzyl Acetates and Benzyl Pivalates: A Reinvestigation of Substituent Effects

  摘要：

  The photosolvolysis reactions, in methanol, of six substituted benzyl acetates (7a-f) and benzyl pivalates (8a-f) were studied. Five major benzylic products were formed from two critical intermediates. The ethers (9) were formed from the ion pair, 15, and all of the other products (10-14) were formed from the radical pair, 16. Quenching studies showed that only excited singlet state reactivity was important. The product yields were found to be highly substituent dependent. For instance, for the acetate esters, the yield of ether (9) varied from 2% for X = 4-OCH3 to 32% for X = 3-OCH3. Most of the differences in the yields could be attributed to ground state processes that occur after bond cleavage. The important competition is between electron transfer, converting the radical pair to the ion pair, and decarboxylation of RCO(2)(.). The rates of electron transfer are shown to fit Marcus theory in both the normal and inverted regions. Direct heterolytic cleavage to form the ion pair is of minimal importance.

  DOI：

  10.1021/ja00087a020

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。
• SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS
  申请人：Scott Ian L.

  公开号：US20100093865A1

  公开（公告）日：2010-04-15

  Provided are sulphur-linked compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  提供的是硫连接化合物、其药物组合物以及使用所述化合物和组合物治疗眼科疾病和障碍的方法，例如年龄相关的黄斑变性和斯达加特病。
• Antisense-induced exon exclusion in type VII collagen
  申请人：Sarepta Therapeutics, Inc.

  公开号：US10849917B2

  公开（公告）日：2020-12-01

  The present disclosure relates to antisense oligomers and related compositions and methods for increasing the expression of functional human type VII collagen and methods for treating dystrophic epidermolysis bullosa and related disorders and relates to inducing exclusion of exon 80 in human type VII collagen mRNA.

  本公开涉及反义寡核苷酸及相关组合物和方法，用于增加功能性人类Ⅶ型胶原蛋白的表达，并用于治疗营养不良性表皮水疱性松解症及相关疾病的方法，并涉及诱导人类Ⅶ型胶原蛋白mRNA中外显子80的排除。
• 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS
  申请人：PFIZER INC.

  公开号：US20180208607A1

  公开（公告）日：2018-07-26

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof; processes for the preparation of; intermediates used in the preparation of; and compositions containing such compounds or salts, and their uses for treating MAGL-mediated diseases and disorders including, e.g., pain, an inflammatory disorder, depression, anxiety, Alzheimer's disease, a metabolic disorder, stroke, or cancer.

  本发明在一定程度上提供了Formula I的化合物： 及其药用盐；制备方法；制备中使用的中间体；以及含有这些化合物或盐的组合物，以及它们用于治疗MAGL介导的疾病和紊乱，包括但不限于疼痛、炎症性紊乱、抑郁症、焦虑症、阿尔茨海默病、代谢紊乱、中风或癌症。
• HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR
  申请人：AMGEN INC.

  公开号：US20170320860A1

  公开（公告）日：2017-11-09

  Compounds of Formula I and Formula II, pharmaceutically acceptable salts thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the following structures: where the definitions of the variables are provided herein.

  公式I和公式II的化合物，其药用盐，上述任何一个的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。公式I和公式II的化合物具有以下结构： 其中变量的定义在此提供。