7-(1-hydroxy-ethyl)-1-benzofuran-5-carbonitrile | 796112-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 7-(1-hydroxy-ethyl)-1-benzofuran-5-carbonitrile
• 英文别名: 7-(1-Hydroxyethyl)-1-benzofuran-5-carbonitrile
• CAS: 796112-21-5
• 化学式: C₁₁H₉NO₂
• 分子量: 187.198
• InChiKey: QUTPCTBXPWDPLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-(1-hydroxy-ethyl)-1-benzofuran-5-carbonitrile 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 7-acetyl-1-benzofuran-5-carbonitrile
  参考文献：
  名称：

  [EN] CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] DERIVES D'AMINE CYCLIQUES, PROCEDES DE PREPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  式（I）的化合物，其中R代表从i）ii）iii）iv）中选择的基团，其中取代基R1、R2、R3、R4、R5、R6、R7和指数m、n和p如描述中所定义；或其药学上可接受的盐和溶剂；它们的制备方法到含有它们的药物组合物以及它们在治疗由速效肽激酶介导的病症和/或通过选择性抑制血清素再摄取转运蛋白介导的病症中的应用。

  公开号：

  WO2004099143A1
• 作为产物：
  描述：

  5-溴-7-苯并呋喃羧醛 、 甲基溴化镁 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.0h， 生成 7-(1-hydroxy-ethyl)-1-benzofuran-5-carbonitrile
  参考文献：
  名称：

  [EN] CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] DERIVES D'AMINE CYCLIQUES, PROCEDES DE PREPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  式（I）的化合物，其中R代表从i）ii）iii）iv）中选择的基团，其中取代基R1、R2、R3、R4、R5、R6、R7和指数m、n和p如描述中所定义；或其药学上可接受的盐和溶剂；它们的制备方法到含有它们的药物组合物以及它们在治疗由速效肽激酶介导的病症和/或通过选择性抑制血清素再摄取转运蛋白介导的病症中的应用。

  公开号：

  WO2004099143A1

文献信息

• Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them
  申请人：Alvaro Giuseppe

  公开号：US20070073061A1

  公开（公告）日：2007-03-29

  A compound of formula (I) wherein R is a radical selected from in which R 7 is halogen, cyano, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy; p is an integer from 0 to 3; R 1 is hydrogen, halogen, cyano, C 2-4 alkenyl, C 1-4 alkyl optionally substituted by halogen, cyano or C 1-4 alkoxy; R 2 is hydrogen or C 1-4 alkyl; R 3 and R 4 independently are hydrogen, C 1-4 alkyl or R 3 together with R 4 is C 3-7 cycloalkyl; R 5 is phenyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, naphthyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, a 9 to 10 membered fused bicyclic heterocyclic group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl or R 5 is a 5 or 6 membered heteroaryl group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl; R 6 is hydrogen or (CH 2 )qR 8 ; R 8 is hydrogen, C 3-7 cycloalkyl, C 1-4 alkoxy, amine, C 1-4 alkylamine, (C 1-4 alkyl) 2 amine, OC(O)NR 9 R 10 or C(O)NR 9 R 10 ; R 9 and R 10 independently are hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; m is zero or 1; n is 1 or 2; q is an integer from 1 to 4; r is 1 or 2; or pharmaceutically acceptable salts and solvates thereof; processes for their preparation to pharmaceutical compositions containing them and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  化合物的结构式为（I），其中R是选择自以下基团的基团，其中R7是卤素、氰基、C1-4烷基、C1-4烷氧基、三氟甲基或三氟甲氧基；p是从0到3的整数；R1是氢、卤素、氰基、C2-4烯基、C1-4烷基（可选择性地被卤素、氰基或C1-4烷氧基取代）；R2是氢或C1-4烷基；R3和R4分别是氢、C1-4烷基或R3与R4结合形成C3-7环烷基；R5是苯基，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；萘基，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；或9到10个成员的融合双环杂环基团，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；R5也可以是5或6个成员的杂芳基团，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；R6是氢或（CH2）qR8；R8是氢、C3-7环烷基、C1-4烷氧基、胺、C1-4烷基胺、（C1-4烷基）2胺、OC（O）NR9R10或C（O）NR9R10；R9和R10分别是氢、C1-4烷基或C3-7环烷基；m为零或1；n为1或2；q是从1到4的整数；r为1或2；或其药学上可接受的盐和溶剂；制备它们的方法，含有它们的药物组合物以及它们在治疗由Tachykinins和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病中的用途。
• Novel antifungal agent containing heterocyclic compound
  申请人：Nakamoto Kazutaka

  公开号：US20070105943A1

  公开（公告）日：2007-05-10

  The present invention provides an antifungal agent represented by the formula: [wherein A 1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X 1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A 1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其表示为以下式子： [其中A1表示一个3-吡啶基团，可能具有取代基，喹啉基团，可能具有取代基或类似物；X1表示由公式—NH—C（═O）—，由公式—C（═O）—NH—或类似物表示的基团；E表示呋喃基团，噻吩基团，吡咯基团，苯基团，吡啶基团，四唑基团，噻唑基团或吡唑基团；但A1可能具有1到3个取代基，E具有一个或两个取代基。]
• Novel Antimalarial Agent Containing Heterocyclic Compound
  申请人：Nakamoto Kazutaka

  公开号：US20090227799A1

  公开（公告）日：2009-09-10

  Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A 1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X 1 represents a group represented by the formula —C(═O)—NH— or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A 1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

  揭示了一种抗疟疾剂，其包含由下式表示的化合物： [其中A1表示一个3-吡啶基团，可以有取代基，一个6-喹啉基团，可以有取代基或类似物；X1表示一个由公式-C（═O）-NH-或类似物表示的基团；E表示一个呋喃基团，噻吩基团或苯基团；但前提是A1可以有1到3个取代基，E有两个取代基之一]或其盐或水合物。
• Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them
  申请人：Alvaro Giuseppe

  公开号：US20090192194A1

  公开（公告）日：2009-07-30

  A compound of formula (I) wherein R is a radical selected from in which R 7 is halogen, cyano, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy; p is an integer from 0 to 3; R 1 is hydrogen, halogen, cyano, C 2-4 alkenyl, C 1-4 alkyl optionally substituted by halogen, cyano or C 1-4 alkoxy; R 2 is hydrogen or C 1-4 alkyl; R 3 and R 4 independently are hydrogen, C 1-4 alkyl or R 3 together with R 4 is C 3-7 cycloalkyl; R 5 is phenyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, naphthyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, a 9 to 10 membered fused bicyclic heterocyclic group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl or R 5 is a 5 or 6 membered heteroaryl group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl; R 6 is hydrogen or (CH 2 )qR 8 ; R 8 is hydrogen, C 3-7 cycloalkyl, C 1-4 alkoxy, amine, C 1-4 alkylamine, (C 1-4 alkyl) 2 amine, OC(O)NR 9 R 10 or C(O)NR 9 R 10 ; R 9 and R 10 independently are hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; m is zero or 1; n is 1 or 2; q is an integer from 1 to 4; r is 1 or 2; or pharmaceutically acceptable salts and solvates thereof; processes for their preparation to pharmaceutical compositions containing them and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  化合物的公式（I），其中R是从以下选择的基团：其中R7是卤素，氰基，C1-4烷基，C1-4烷氧基，三氟甲基或三氟甲氧基；p是从0到3的整数；R1是氢，卤素，氰基，C2-4烯基，C1-4烷基（可以被卤素，氰基或C1-4烷氧基取代）；R2是氢或C1-4烷基；R3和R4独立地是氢，C1-4烷基或R3与R4一起是C3-7环烷基；R5是苯基，它被1到3个独立选择的基团取代，这些基团是三氟甲基，C1-4烷基，氰基，C1-4烷氧基，三氟甲氧基，卤素或（SO）rC1-4烷基，萘基，它被1到3个独立选择的基团取代，这些基团是三氟甲基，C1-4烷基，氰基，C1-4烷氧基，三氟甲氧基，卤素或（SO）rC1-4烷基，或R5是5或6成员的杂芳基，它被1到3个独立选择的基团取代，这些基团是三氟甲基，C1-4烷基，氰基，C1-4烷氧基，三氟甲氧基，卤素或（SO）rC1-4烷基；R6是氢或（CH2）qR8；R8是氢，C3-7环烷基，C1-4烷氧基，胺，C1-4烷基胺，（C1-4烷基）2胺，OC（O）NR9R10或C（O）NR9R10；R9和R10独立地是氢，C1-4烷基或C3-7环烷基；m为零或1；n为1或2；q是从1到4的整数；r为1或2；或其药学上可接受的盐和溶剂；它们的制备过程，包含它们的制药组合物以及它们在治疗通过调节Tachykinins和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病中的应用。
• NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1782811A1

  公开（公告）日：2007-05-09

  Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X1 represents a group represented by the formula -C(=O)-NH- or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

  本发明公开了一种抗疟药剂，其中含有一种由式......表示的化合物： [其中 A1 代表可具有取代基的 3-吡啶基、可具有取代基的 6-喹啉基或类似基团；X1 代表由式-C(＝O)-NH-或类似基团表示的基团；E 代表呋喃基、噻吩基或苯基； 但 A1 可具有一至三个取代基，E 具有两个取代基中的一个]或其盐或其水合物。