2-methyl-1,6-dioxaspiro[2.5]octane | 852572-03-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-methyl-1,6-dioxaspiro[2.5]octane
• CAS: 852572-03-3
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: YHEXVSDWYDAYDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-1,6-dioxaspiro[2.5]octane 、 1-isopropyl-5-methyl-2-oxo-N-(piperidin-4-ylmethyl)-1,2-dihydroquinoline-3-carboxamide 以 甲醇 为溶剂， 反应 30.0h， 生成 N-({1-[1-(4-hydroxytetrahydro-2H-pyran-4-yl)ethyl]piperidin-4-yl}methyl)-1-isopropyl-5-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
  参考文献：
  名称：

  [EN] QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY
  [FR] COMPOSES D'ACIDE QUINOLONECARBOXYLIQUE A ACTIVITE AGONISTE DU RECEPTEUR 5-HT4

  摘要：

  该发明提供了一种化合物，其化学式为（I）：其中Het代表含有一个氮原子的杂环基团，其中B直接结合，含有从4到7个碳原子，该杂环基团未取代或者取代1到4个独立选择自α1取代基的取代基；A代表含有从1到4个碳原子的烷基基团；B代表共价键或含有从1到5个碳原子的烷基基团；R1代表异丙基基团、正丙基基团或环戊基团；R2代表甲基基团、氟原子或氯原子；R3独立代表（i）酮基、羟基、氨基、烷基氨基或羧基；（ii）含有从3到8个碳原子的环烷基团，该环烷基团被1到5个取代基取代；或（iii）含有从3到8个原子的杂环基团，该杂环基团未取代或者取代1到5个取代基，n为1、2或3，或其药学上可接受的盐。这些化合物具有5-HT4受体激动活性，因此对于哺乳动物，特别是人类的胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等的治疗是有用的。

  公开号：

  WO2005049608A1
• 作为产物：
  描述：

  4-亚乙基四氢-2H-吡喃 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以81 mg的产率得到2-methyl-1,6-dioxaspiro[2.5]octane
  参考文献：
  名称：

  烯丙醇的催化自由基-极性交叉反应

  摘要：

  描述了叔烯丙醇的自由基极性交叉氢官能化。取决于催化剂的结构，相应的环氧化物或半频哪醇重排产物以良好的产率选择性地获得。实验证据表明烷基钴配合物作为亲电子中间体的参与。

  DOI：

  10.1021/jacs.8b12075

文献信息

• [EN] PYRAZOLYL DERIVATIVES AS SYK INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLYLE EN TANT QU'INHIBITEURS DE SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2013192125A1

  公开（公告）日：2013-12-27

  The present invention provides novel pyrazole derivatives of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

  本发明提供了一种新型的嘧啶酮衍生物，其化学式为I，它们是脾酪氨酸激酶的有效抑制剂，并且在治疗和预防由该酶介导的疾病方面具有用处，如哮喘、慢性阻塞性肺病、类风湿性关节炎和癌症。
• Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity
  申请人：Kato Tomoki

  公开号：US20080255113A1

  公开（公告）日：2008-10-16

  This invention provides a compound of the formula (I): wherein Het represents a heterocyclic group having one nitrogen atom, to which B binds directly, and from 4 to 7 carbon atoms, and said heterocyclic group being unsubstituted or substituted by 1 to 4 substituents independently selected from the group consisting of substituents α 1 ; A represents an alkylene group having from 1 to 4 carbon atoms; B represents a covalent bond or an alkylene group having from 1 to 5 carbon atoms; R 1 represents an isopropyl group, a n-propyl group or a cyclopentyl group; R 2 represents a methyl group, a fluorine atom or a chlorine atom; R 3 independently represents (i) an oxo group, a hydroxy group, an amino group, an alkylamino group or a carboxyl group; (ii) a cycloalkyl group having from 3 to 8 carbon atoms, and said cycloalkyl group being substituted by 1 to 5 substituents, or (iii) a heterocyclic group having from 3 to 8 atoms, and said heterocyclic group being unsubstituted or substituted by 1 to 5 substituents, and n is 1, 2 or 3, or a pharmaceutically acceptable salts thereof. These compounds have 5-HT 4 receptor agonistic activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans.

  本发明提供了式（I）的化合物：其中，Het代表具有一个氮原子的杂环基团，与B直接结合，具有4至7个碳原子，所述杂环基团未被取代或被1至4个取代基独立地选自α1取代基组成的基团取代；A代表具有1至4个碳原子的脂肪族基团；B代表共价键或具有1至5个碳原子的脂肪族基团；R1代表异丙基基团、正丙基基团或环戊基团；R2代表甲基基团、氟原子或氯原子；R3独立地代表（i）氧代基、羟基、氨基、烷基氨基或羧基；（ii）具有3至8个碳原子的环烷基团，所述环烷基团被1至5个取代基取代；或（iii）具有3至8个原子的杂环基团，所述杂环基团未被取代或被1至5个取代基独立地选自α1取代基组成的基团取代，n为1、2或3，或其药学上可接受的盐。这些化合物具有5-HT4受体激动活性，因此对于哺乳动物，特别是人类的治疗胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等非常有用。
• Quinolonecarboxylic acid compounds having 5-HT4 receptor agonistic activity
  申请人：Pfizer Inc.

  公开号：US07964727B2

  公开（公告）日：2011-06-21

  This invention provides a compound of the formula (I): wherein Het represents a heterocyclic group having one nitrogen atom, to which B binds directly, and from 4 to 7 carbon atoms, and said heterocyclic group being unsubstituted or substituted by 1 to 4 substituents independently selected from the group consisting of substituents α1; A represents an alkylene group having from 1 to 4 carbon atoms; B represents a covalent bond or an alkylene group having from 1 to 5 carbon atoms; R1 represents an isopropyl group, a n-propyl group or a cyclopentyl group; R2 represents a methyl group, a fluorine atom or a chlorine atom; R3 independently represents (i) an oxo group, a hydroxy group, an amino group, an alkylamino group or a carboxyl group; (ii) a cycloalkyl group having from 3 to 8 carbon atoms, and said cycloalkyl group being substituted by 1 to 5 substituents, or (iii) a heterocyclic group having from 3 to 8 atoms, and said heterocyclic group being unsubstituted or substituted by 1 to 5 substituents, and n is 1, 2 or 3, or a pharmaceutically acceptable salts thereof. These compounds have 5-HT4 receptor agonistic activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans.

  该发明提供了一种式(I)的化合物：其中，Het代表一个杂环基团，其中有一个氮原子，B直接结合到该氮原子上，该杂环基团具有4到7个碳原子，且该杂环基团未取代或被1到4个独立选择的取代基α1取代；A代表具有1到4个碳原子的烷基链；B代表共价键或具有1到5个碳原子的烷基链；R1代表异丙基基团、正丙基基团或环戊基基团；R2代表甲基基团、氟原子或氯原子；R3独立地表示（i）氧代基、羟基、氨基、烷基氨基或羧基；（ii）具有3到8个碳原子的环烷基团，该环烷基团被1到5个取代基取代；或（iii）具有3到8个原子的杂环基团，该杂环基团未取代或被1到5个取代基取代，n为1、2或3，或其药学上可接受的盐。这些化合物具有5-HT4受体激动活性，因此可用于哺乳动物，特别是人类的胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等的治疗。
• PYRAZOLYL DERIVATIVES AS SYK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150191461A1

  公开（公告）日：2015-07-09

  The present invention provides novel pyrazole derivatives of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

  本发明提供了公式I的新型吡唑衍生物，它们是脾酪氨酸激酶的有效抑制剂，并可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺疾病、类风湿性关节炎和癌症。
• Pyrazolyl derivatives as Syk inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US09242984B2

  公开（公告）日：2016-01-26

  The present invention provides novel pyrazole derivatives of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

  本发明提供了一种新型的吡唑衍生物，其化学式为I，是脾酪氨酸激酶的强效抑制剂，并可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺疾病、类风湿性关节炎和癌症。