3-methyl-5-tert-butylfuran | 6141-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-methyl-5-tert-butylfuran
• 英文别名: 2-tert-butyl-4-methyl-furan；2-(1,1-dimethylethyl)-4-methyl-furan；Furan, 2-(1,1-dimethylethyl)-4-methyl-；2-tert-butyl-4-methylfuran
• CAS: 6141-68-0
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: DDXRLYGFNYHBOK-UHFFFAOYSA-N

物化性质

• 保留指数：
  915

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2932190090

反应信息

• 作为反应物：
  描述：

  3-methyl-5-tert-butylfuran 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以2.7 g的产率得到2-bromo-3-methyl-5-tert-butylfuran
  参考文献：
  名称：

  Synthesis and Phosphorylation of 2-, 3-, and 4-Halomethyl-5-tert-butylfurans

  摘要：

  Synthetic methods for preparing of 2-, 3-, and 4-halomethyl-5-tert-butylfurans are developed. It was established that the bromination of 3- and 4-methyl-2-tert-butylfurans with N-bromosuccinimide proceeds mainly at the free alpha-position of the furan ring, and not at the methyl group. Therefore, the target halomethylfurans were prepared through the corresponding 3- and 4-methoxymethyl derivatives. The obtained five products were phosphorylated with sodium diethyl phosphite under the conditions of the Michaelis-Becker reaction to give the corresponding phosphonates.

  DOI：

  10.1023/b:rugc.0000031868.97123.e1
• 作为产物：
  描述：

  6-tert-butyl-4-methyl-[1,2]oxathiin-2,2-dioxide 在 喹啉 、 calcium oxide 作用下， 生成 3-methyl-5-tert-butylfuran
  参考文献：
  名称：

  Morel; Verkade, Recueil des Travaux Chimiques des Pays-Bas, 1951, vol. 70, p. 35,47

  摘要：

  DOI：

文献信息

• FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20210079014A1

  公开（公告）日：2021-03-18

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B 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 HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I）或其药学上可接受的盐，这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及含有上述化合物的药物组合物，用于给患有HBV感染的受试者使用。该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HBV感染的方法。
• PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS
  申请人：MITSUI CHEMICALS AGRO, INC.

  公开号：US20200045968A1

  公开（公告）日：2020-02-13

  Pyridine compounds of Formula (1) are provided: wherein R1, R2, X, Y and Het are defined. The pyridine compounds can be used to treat or prevent plant diseases.

  提供了化合物的化学式（1）：其中R1、R2、X、Y和Het均已定义。这些吡啶化合物可用于治疗或预防植物疾病。
• Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239895A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is an aryl, heteroaryl or heterocycle (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  本文提供了包含式I的补体因子D抑制剂的化合物、使用方法和制备过程，或其药学上可接受的盐或组合物，其中A组上的R12或R13是芳基、杂芳基或杂环（R32）。本文所描述的抑制剂针对因子D并在替代补体途径的早期和关键点上抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所描述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫、炎症和神经退行性疾病、缺血再灌注损伤和癌症有关。
• Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors
  申请人：Bellenie Benjamin Richard

  公开号：US10004732B2

  公开（公告）日：2018-06-26

  The present invention provides compounds of formula (I) which inhibit the activity of PI 3-kinase gamma isoform, which are useful for the treatment of diseases mediated by the activation of PI 3-kinase gamma isoform.

  本发明提供了抑制 PI 3-kinase gamma 异构体活性的式 (I) 化合物，可用于治疗由 PI 3-kinase gamma 异构体活化介导的疾病。
• Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients
  申请人：MITSUI CHEMICALS AGRO, INC.

  公开号：US11178870B2

  公开（公告）日：2021-11-23

  Pyridine compounds of Formula (1) are provided: wherein R1, R2, X, Y and Het are defined. The pyridine compounds can be used to treat or prevent plant diseases.

  提供了式 (1) 的吡啶化合物： 其中 R1、R2、X、Y 和 Het 已定义。吡啶化合物可用于治疗或预防植物病害。

表征谱图