萘-1-基甲基丙酸酯 | 13098-90-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 萘-1-基甲基丙酸酯
• 英文名称: 1-naphthylmethyl propanoate
• 英文别名: 1-Menaphthyl-propionat；1-Propionyloxymethyl-naphthalin；propionic acid-[1]naphthylmethyl ester；Propionsaeure-[1]naphthylmethylester；1-Naphthylmethyl propionate；naphthalen-1-ylmethyl propanoate
• CAS: 13098-90-3
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: XTWNWFAPWQBZRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  甲醇 、 萘-1-基甲基丙酸酯 以93%的产率得到抑芽醚
  参考文献：
  名称：

  Rates of decarboxylation of acyloxy radicals formed in the photocleavage of substituted 1-naphthylmethyl alkanoates

  摘要：

  Rates of decarboxylation (k(CO2)R) have been estimated for the acyloxy radicals 7a-f formed in the photolysis of substituted 1-naphthylmethyl alkanoates 6a-f. These rates are based on a proposed mechanism involving initial carbon-oxygen homolytic bond cleavage from the excited singlet state. The products are formed by two competing pathways: electron transfer in the radical pair to give an ion pair and decarboxylation. Measured product yields along with an estimate of the electron-transfer rate (k(ET)) allow calculation of k(CO2)R as a function of R. The values obtained are the following (R, k (10(9) s-1)): CH3, < 1.3; CH3CH2, 2.0; (CH3)2CH, 6.5; (CH3)3C, 11; PhCH2, 5.0; PhCH2CH2, 2.3.

  DOI：

  10.1021/ja00007a049
• 作为产物：
  描述：

  1-萘甲醇 、 丙酸酐 在 吡啶 作用下， 以65%的产率得到萘-1-基甲基丙酸酯
  参考文献：
  名称：

  Rates of decarboxylation of acyloxy radicals formed in the photocleavage of substituted 1-naphthylmethyl alkanoates

  摘要：

  Rates of decarboxylation (k(CO2)R) have been estimated for the acyloxy radicals 7a-f formed in the photolysis of substituted 1-naphthylmethyl alkanoates 6a-f. These rates are based on a proposed mechanism involving initial carbon-oxygen homolytic bond cleavage from the excited singlet state. The products are formed by two competing pathways: electron transfer in the radical pair to give an ion pair and decarboxylation. Measured product yields along with an estimate of the electron-transfer rate (k(ET)) allow calculation of k(CO2)R as a function of R. The values obtained are the following (R, k (10(9) s-1)): CH3, < 1.3; CH3CH2, 2.0; (CH3)2CH, 6.5; (CH3)3C, 11; PhCH2, 5.0; PhCH2CH2, 2.3.

  DOI：

  10.1021/ja00007a049

文献信息

• PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Sun Ying

  公开号：US20080286233A1

  公开（公告）日：2008-11-20

  The present invention relates to compounds of Formula I, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及式I的化合物，或其药学上可接受的盐、酯或前药：这些化合物抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了乙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。本发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• Syngas Instead of Hydrogen Gas as a Reducing Agent─A Strategy To Improve the Selectivity and Efficiency of Organometallic Catalysts
  作者：Evgeniya Podyacheva、Oleg I. Afanasyev、Vladimir S. Ostrovskii、Denis Chusov

  DOI：10.1021/acscatal.2c01000

  日期：2022.5.6

  Catalytic reduction reactions play a major role in modern chemistry and are often based on hydrogen gas as a reducing agent. However, the high reactivity of hydrogen is often accompanied by low selectivity on the simple catalysts. Herein, we showed that the usage of syngas as a reducing agent can be a more efficient and selective strategy. Based on control experiments, a plausible mechanism was proposed

  催化还原反应在现代化学中发挥着重要作用，通常以氢气为还原剂。然而，氢气的高反应性往往伴随着对简单催化剂的低选择性。在这里，我们表明使用合成气作为还原剂可能是一种更有效和选择性的策略。基于对照实验，提出了一种合理的机制来解释合成气的优越性能。这种方法的多功能性通过成功应用于使用不同金属催化剂的三种反应来证明：直接还原胺化、还原酯化和串联 CH-还原烷基化-水解-脱羧。催化剂周转量达到 30,000。而且，
• Chakravarti; Dhar, Journal of the Indian Chemical Society, 1953, vol. 30, p. 751,753
  作者：Chakravarti、Dhar

  DOI：——

  日期：——
• Rates of decarboxylation of acyloxy radicals formed in the photocleavage of substituted 1-naphthylmethyl alkanoates
  作者：James W. Hilborn、James A. Pincock

  DOI：10.1021/ja00007a049

  日期：1991.3

  Rates of decarboxylation (k(CO2)R) have been estimated for the acyloxy radicals 7a-f formed in the photolysis of substituted 1-naphthylmethyl alkanoates 6a-f. These rates are based on a proposed mechanism involving initial carbon-oxygen homolytic bond cleavage from the excited singlet state. The products are formed by two competing pathways: electron transfer in the radical pair to give an ion pair and decarboxylation. Measured product yields along with an estimate of the electron-transfer rate (k(ET)) allow calculation of k(CO2)R as a function of R. The values obtained are the following (R, k (10(9) s-1)): CH3, < 1.3; CH3CH2, 2.0; (CH3)2CH, 6.5; (CH3)3C, 11; PhCH2, 5.0; PhCH2CH2, 2.3.