5-叔丁基-1,3-苯并二氧戊环 | 7228-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 5-叔丁基-1,3-苯并二氧戊环
• 英文名称: 5-(tert-butyl)benzo[d][1,3]dioxole
• 英文别名: 4-tert-butyl-1,2-(methylenedioxy)benzene；5-tert-Butyl-1,3-benzodioxole
• CAS: 7228-36-6
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: GKIMVZDPIWPNIU-UHFFFAOYSA-N

物化性质

• 沸点：
  65-70 °C
• 密度：
  1.047 g/mL at 25 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  5-叔丁基-1,3-苯并二氧戊环 在 1,3-二甲基-2-咪唑啉酮 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 12.0h， 以94%的产率得到对叔丁基邻苯二酚
  参考文献：
  名称：

  Sodium Bis(trimethylsilyl)amide and Lithium Diisopropylamide in Deprotection of Alkyl Aryl Ethers:  α-Effect of Silicon

  摘要：

  Removal of methyl, benzyl, and methylene groups from alkyl aryl ethers is among the most popular deprotecting methods in organic synthesis. Alkali organoamides NaN(SiMe3)(2) and LiN(i-Pr)(2), often used as organic bases, have been developed as efficient deprotecting agents. Treatment of aryl methyl ethers with 1.5 equiv of NaN(SiMe3)(2) or LiN(i-Pr)(2) in THF and 1,3-dimethyl-2-imidazolidinone in a sealed tube at 185 degrees C produced the corresponding phenol derivatives in good to excellent yields (80-97%). Removal of the methylene unit from benzodioxole derivatives was also accomplished by use of 2.5 equiv of these alkali organoamides. The corresponding catechols were obtained in 93-99% yields. The activity of NaN(SiMe3)(2) was proven lower than that of LiN(i-Pr)(2); it is due to the steric congestion and the alpha-stabilizing effect of the silyl groups. Thus selective mono-O-demethylation of o-dimethoxybenzenes can be achieved by the use of NaN(SiMe3)(2) but not LiN(i-Pr)(2). O-Debenzylation of aryl benzyl ethers, however, can be accomplished by the use of LiN(i-Pr)(2).

  DOI：

  10.1021/jo961191k
• 作为产物：
  描述：

  二碘甲烷 、 对叔丁基邻苯二酚 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以45%的产率得到5-叔丁基-1,3-苯并二氧戊环
  参考文献：
  名称：

  FUSED AMINO PYRIDINE AS HSP90 INHIBITORS

  摘要：

  本发明涉及含有融合氨基吡啶核的HSP90抑制剂，可用作HSP90的抑制剂，以及它们在治疗HSP90相关疾病和紊乱，如癌症、自身免疫疾病或神经退行性疾病中的用途。

  公开号：

  US20080234314A1

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Asana Biosciences, LLC

  公开号：US20160362407A1

  公开（公告）日：2016-12-15

  The present application provides novel heterocyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful for inhibiting ERK1/2. By administering to a patient in need a therapeutically effective amount of one or more of the compounds of formula (I), wherein X, Y, Z, J, M, and R 1 to R 8 are defined herein, these compounds are effective in treating conditions associated with dysregulation of the RAS/RAF/MEK/ERK pathway. A variety of conditions can be treated using these compounds and include diseases which are characterized by abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新颖的杂环化合物及其药用可接受的盐。还提供了制备这些化合物的方法。这些化合物对抑制ERK1/2有用。通过向需要治疗的患者施用式(I)的一个或多个化合物的治疗有效量，其中X、Y、Z、J、M和R1至R8在此处定义，这些化合物在治疗与RAS/RAF/MEK/ERK通路失调相关的疾病方面是有效的。可以使用这些化合物治疗各种疾病，包括以异常细胞增殖为特征的疾病。在一个实施例中，该疾病是癌症。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] NOVEL ANTIVIRAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS ANTIVIRAUX
  申请人：PHARMARESOURCES SHANGHAI CO LTD

  公开号：WO2012065062A1

  公开（公告）日：2012-05-18

  The present invention relates to a compound of formula I: or a pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification; a pharmaceutical composition comprising the same, a method for treating or preventing a viral infection such as HIV using the same.

  本发明涉及一种化合物I的化学式：或其药用可接受的盐，其中符号如规范中定义；包括相同化合物的药物组合物，以及使用该化合物治疗或预防病毒感染，如HIV的方法。
• 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20100267689A1

  公开（公告）日：2010-10-21

  The present invention comprises compounds of Formula (I): wherein: X, R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明涵盖了以下式（I）的化合物： 其中：X，R1，R2，R3和R4如规范中所定义。该发明还涵盖了一种预防、治疗或改善综合征、疾病或疾病的方法，其中所述综合征、疾病或疾病是II型糖尿病、肥胖和哮喘。该发明还涵盖了通过给哺乳动物施用至少一种式（I）化合物的治疗有效量来抑制CCR2活性的方法。

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