Methyl 2-(4-chlorophenyl)benzoxazole-7-carboxylate | 139389-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Methyl 2-(4-chlorophenyl)benzoxazole-7-carboxylate
• 英文别名: Methyl 2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylate
• CAS: 139389-99-4
• 化学式: C₁₅H₁₀ClNO₃
• 分子量: 287.702
• InChiKey: VYUWGBFFQZTRNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Methyl 3-[(4-chlorobenzoyl)amino]-2-hydroxybenzoate 在 溶剂黄146 、 三氟乙酸 作用下， 反应 0.33h， 以85%的产率得到Methyl 2-(4-chlorophenyl)benzoxazole-7-carboxylate
  参考文献：
  名称：

  三氟乙酸和乙酸微波辅助合成苯并恶唑-7-羧酸酯

  摘要：

  苯并恶唑-7-羧酸酯的现有路线产率低。以下信函描述了一种使用三氟乙酸-乙酸和微波辐射以大大提高的产率合成苯并恶唑-7-羧酸酯的新方法。

  DOI：

  10.1055/s-2006-951489

文献信息

• Benzoxazole carboxamides for treating CINV and IBS-D
  申请人：Fairfax J. David

  公开号：US20060183769A1

  公开（公告）日：2006-08-17

  Compounds of formulae I and II: are disclosed as 5-HT 3 inhibitors. Those compounds that exhibit central activity are useful in treating CINV; those that inhibit peripheral receptors are useful to treat IBS-D.

  公式I和II的化合物： 被披露为5-HT3受体拮抗剂。那些表现出中枢活性的化合物对治疗CINV有用；那些抑制外周受体的化合物对治疗IBS-D有用。
• [EN] IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY<br/>[FR] COMPOSES D'IMIDAZOLE 4-CARBOXAMIDE A ACTIVITE D'INHIBITION DE L'ADENOSINE DEAMINASE
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003068768A1

  公开（公告）日：2003-08-21

  Imidazole compounds having adenosine deaminase inhibitory activity represented by the formula (I): wherein R1 is optionally substituted aryl or optionally substituted heteroaryl, R2 is lower alkyl; R3 is hydroxy or protected hydroxy; X is 0 or S; and - A - is lower alkylene, its prodrug, or their salt. The compounds are useful for treating and/or preventing diseases for which adenosine is effective.

  公式（I）所表示的具有腺苷脱氨酶抑制活性的咪唑化合物：其中R1是可选择取代的芳基或可选择取代的杂环芳基，R2是较低的烷基；R3是羟基或保护羟基；X是0或S；- A - 是较低的烷基，其前药或其盐。这些化合物可用于治疗和/或预防腺苷对其有效的疾病。
• Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity
  申请人：Tsujji Kiyoshi

  公开号：US20050159462A1

  公开（公告）日：2005-07-21

  Imidazole compounds having adenosine deaminase inhibitory activity represented by the formula (I): wherein R 1 is optionally substituted aryl or optionally substituted heteroaryl, R 2 is lower alkyl; R 3 is hydroxy or protected hydroxy; X is O or S; and -A- is lower alkylene, its prodrug, or their salt. The compounds are useful for treating and/or preventing diseases for which adenosine is effective.

  具有腺苷脱氨酶抑制活性的咪唑化合物的化学式（I）表示为：其中R1是可选取代的芳基或可选取代的杂环基，R2是较低的烷基；R3是羟基或保护羟基；X为O或S；而-A-为较低的烷基烯，其前药或其盐。这些化合物可用于治疗和/或预防腺苷在其中有效的疾病。
• Benzoxazole Carboxamides For Treating CINV and IBS-D
  申请人：Fairfax J. David

  公开号：US20080108609A1

  公开（公告）日：2008-05-08

  Compounds of formulae I and II: are disclosed as 5-HT 3 inhibitors. Those compounds that exhibit central activity are useful in treating CINV; those that inhibit peripheral receptors are useful to treat IBS-D.

  化学式为I和II的化合物被披露为5-HT3抑制剂。那些表现出中枢活性的化合物可用于治疗化疗诱导恶心和呕吐（CINV）; 那些抑制外周受体的化合物可用于治疗腹泻型肠易激综合征（IBS-D）。
• IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1474421A1

  公开（公告）日：2004-11-10