5-溴-7-苯并呋喃羧醛 | 170681-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 5-溴-7-苯并呋喃羧醛
• 英文名称: 5-bromo-benzofuran-7-carbaldehyde
• 英文别名: 5-bromo-1-benzofuran-7-carbaldehyde
• CAS: 170681-94-4
• 化学式: C₉H₅BrO₂
• 分子量: 225.041
• InChiKey: JDFPHOYYVVDYAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-溴-7-苯并呋喃羧醛 、 copper(l) cyanide 在 吡啶 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 48.0h， 生成 7-formyl-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-Bromobenzofuran-7-yl)methanol 在 manganese dioxide 氯仿 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以to give the title compound as an orange solid (309 mg)的产率得到5-溴-7-苯并呋喃羧醛
  参考文献：
  名称：

  Benzofuran derivatives as tachykinin antagonists

  摘要：

  本发明涉及以下式子所示的苯并呋喃衍生物（I）。 ##STR1## 本发明还涉及公式（I）的药学上可接受的盐和溶剂，以及它们的制备过程和在治疗由速激肽介导的疾病中的使用。

  公开号：

  US05935972A1

文献信息

• [EN] CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RECEPTEURS DE LA CYCLOPENTYLE-TACHYKININE
  申请人：MERCK & CO., INC.

  公开号：WO1997014671A1

  公开（公告）日：1997-04-24

  (EN) The present invention is directed to certain novel compounds represented by structural formula (I) or a pharmaceutically acceptable salt thereof, wherein R3, R6, R7, R8, R11, R12, R13, A, Q, W, X, Y, Z and n are defined herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulation in the treatment of certain disorders. The compounds of this invention are tachykinin receptor antagonists and are useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis.(FR) L'invention concerne de nouveaux composés représentés par la formule développée (I) ou leurs sels pharmaceutiquement acceptables. Dans ladite formule, R3, R6, R7, R8, R11, R12, R13, A, Q, W, X, Y, Z et n correspondent à la définition donnée dans la description. L'invention concerne également des formulations pharmaceutiques comportant comme ingrédients actifs ces composés, ainsi que l'utilisation de ces composés et de leurs formulations dans le traitement de certains troubles. Les composés selon l'invention sont des antagonistes des récepteurs des tachykinines et sont utiles dans le traitement des maladies inflammatoires, des douleurs et des migraines, de l'asthme et des vomissements.

  该发明涉及一些新的化合物，其结构式为(I)或其药学上可接受的盐，其中R3、R6、R7、R8、R11、R12、R13、A、Q、W、X、Y、Z和n在此定义。该发明还涉及包含这些新化合物作为活性成分的药物制剂以及在治疗某些疾病中使用这些新化合物和它们的制剂。该发明的化合物是缩短肽受体拮抗剂，可用于治疗炎症性疾病、疼痛或偏头痛、哮喘和恶心。
• 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。
• 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。
• BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP0783499A1

  公开（公告）日：1997-07-16
• CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS
  申请人：MERCK & CO., INC.

  公开号：EP0858444A1

  公开（公告）日：1998-08-19