3-(4-methylphenyl)benzo[b]furan-2-carbonitrile | 142016-42-0

• 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: 3-(4-methylphenyl)benzo[b]furan-2-carbonitrile
• 英文别名: 2-cyano-3-(4-tolyl)benzo[b]furan；3-(4-methylphenyl)-1-benzofuran-2-carbonitrile
• CAS: 142016-42-0
• 化学式: C₁₆H₁₁NO
• 分子量: 233.269
• InChiKey: QXBUNNASEFMKQH-UHFFFAOYSA-N

物化性质

• 沸点：
  416.8±40.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-methylphenyl)benzo[b]furan-2-carbonitrile 、 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 生成 3-(4-bromomethylphenyl)benzo[b]furan-2-carbonitrile
  参考文献：
  名称：

  Angiotenin II antagonizing heterocyclic derivatives

  摘要：

  该发明涉及以下式的化合物：##STR1## 其中##STR2##代表一个紧凑或非紧凑的咪唑环，其余变量如规范中所定义。它们是用于治疗高血压等的抗血管紧张素II受体拮抗剂。

  公开号：

  US05215994A1
• 作为产物：
  描述：

  2'-cyanomethoxy-4-methylbenzophenone 在 silica gel potassium tert-butylate 作用下， 以 苯 为溶剂， 生成 3-(4-methylphenyl)benzo[b]furan-2-carbonitrile
  参考文献：
  名称：

  Angiotenin II antagonizing heterocyclic derivatives

  摘要：

  该发明涉及以下式的化合物：##STR1## 其中##STR2##代表一个紧凑或非紧凑的咪唑环，其余变量如规范中所定义。它们是用于治疗高血压等的抗血管紧张素II受体拮抗剂。

  公开号：

  US05215994A1

文献信息

• Fused heterocyclic compounds, having angiotensin II antagonistic activity
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05389641A1

  公开（公告）日：1995-02-14

  Fused heterocyclic compounds of the formula (I): ##STR1## wherein R.sup.1 is an optionally substituted hydrocarbon residue which may be attached through a hetero atom; R.sup.2 is a group capable of forming an anion or a group convertible thereinto; R.sup.3 is an optionally substituted aromatic hydrocarbon or heterocyclic residue which contains at least one hetero atom; X is a direct bond or a spacer having an atomic length of two or less between the R.sup.3 group and the ring W group; W is an optionally substituted aromatic hydrocarbon or heterocyclic residue which contains at least one hereto atom; a,c and d are independently selected from the group consisting of one or two optionally substituted carbon atoms and one or two optionally substituted hetero atoms; b and e are independently selected from the group consisting of one optionally substituted carbon atom and one optionally substituted nitrogen atom wherein one of b or e must be nitrogen; the dotted line is a bond to form one double bond; n is an integer of 1 or 2 and when a, which is an optionally substituted carbon atom, is taken together with R.sup.1, the following group: ##STR2## may form a ring group; provided that when ##STR3## is a benzimidazole, thieno[3,4-d]imidazole, or thieno[2,3-d]imidazole ring, at least one of the group: ##STR4## and R.sup.3 is an optionally substituted heterocyclic residue; and the pharmaceutically acceptable salts thereof, have potent angiotensin II antagonistic activity and antihypertensive activity, thus being useful as therapeutic agents for treating circulatory system diseases such as hypertensive diseases, heart diseases (e.g. hypercardia, heart failure, cardiac infarction, etc.), strokes, cerebral apoplexy, nephritis, etc.

  公式（I）的融合杂环化合物：##STR1## 其中，R.sup.1是可选取代的碳氢基残基，可以通过杂原子连接；R.sup.2是能够形成负离子或可转化为负离子的基团；R.sup.3是可选取代的含有至少一个杂原子的芳香族碳氢基或杂环残基；X是R.sup.3基团和环W基团之间具有原子长度为二或更少的直接键或间隔物；W是可选取代的含有至少一个杂原子的芳香族碳氢基或杂环残基；a、c和d分别从包括一个或两个可选取代的碳原子和一个或两个可选取代的杂原子的群体中独立选择；b和e分别从包括一个可选取代的碳原子和一个可选取代的氮原子的群体中独立选择，其中b或e必须是氮；虚线是一条键，形成一个双键；n是1或2的整数，当a是可选取代的碳原子时，与R.sup.1一起取下面的基团：##STR2## 可以形成一个环基团；但当##STR3## 是苯并咪唑、噻吩[3,4-d]咪唑或噻吩[2,3-d]咪唑环时，至少一个基团：##STR4## 和R.sup.3是可选取代的杂环残基；以及其药学上可接受的盐，具有强大的血管紧张素II拮抗活性和降压活性，因此可用作治疗循环系统疾病（如高血压病、心脏病（如心脏病、心力衰竭、心肌梗塞等）、中风、脑卒中、肾炎等）的治疗剂。
• Angiotensin II antagonizing heterocyclic derivatives
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05210092A1

  公开（公告）日：1993-05-11

  The invention concerns compounds of the formula ##STR1## represents a condensed or uncondensed imidazolyl ring and the rest of the variables are defined in the specification. They are angiotensin II antagonists useful for treating hypertension, etc.

  该发明涉及公式为##STR1##的化合物，其中R1和R2分别表示紧缩或未紧缩的咪唑基环，其余变量在规范中定义。它们是血管紧张素II拮抗剂，可用于治疗高血压等疾病。
• Imidazole derivatives, potent and selective antagonists of angiotensin II receptor
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0480204A1

  公开（公告）日：1992-04-15

  A compound of the formula : wherein R1 is hydrogen, halogen, nitro, lower alkyl, lower alkoxy, amino or acylamino, R2, R3 and R4 are each hydrogen, halogen, nitro, cyano, lower alkyl, lower alkenyl, lower alkylthio, more or di or trihalo(lower)alkyl, oxo(lower)alkyl, hydroxy(lower)alkyl or optionally esterified carboxy; or R2 and R3 are linked together to form 1,3-butadienylene, R5 is hydrogen or imino-protective group, A is lower alkylene, Q is CH or N, X is N or CH, Y is NH, O or S, and is condensed or uncondensed imidazolyl which may have suitable substituent(s), and pharmaceutically acceptable salt thereof; processes for their preparation and pharmaceutical compositions comprising them.

  式中的化合物 式中 R1 是氢、卤素、硝基、低级烷基、低级烷氧基、氨基或酰氨基、 R2、R3 和 R4 分别是氢、卤素、硝基、氰基、低级烷基、低级烯基、低级硫代烷基、多卤代或二卤代或三卤代（低级）烷基、氧代（低级）烷基、羟基（低级）烷基或任选酯化的羧基；或 R2 和 R3 连接在一起形成 1,3-丁二烯、 R5 是氢或亚胺保护基团、 A 是低级烯烃 Q 是 CH 或 N、 X 是 N 或 CH Y 是 NH、O 或 S，以及 是缩合或未缩合咪唑基，可具有合适的取代基，及其药学上可接受的盐；它们的制备工艺和包含它们的药物组合物。
• Fused heterocyclic compounds, their production and use as angiotensin II antagonists
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1327631A2

  公开（公告）日：2003-07-16

  Fused heterocyclic compounds of the formula (I): wherein R1 is an optionally substituted hydrocarbon residue which may be attached through a hetero atom; R2 is a group capable of forming an anion or a group convertible thereinto; R3 is an optionally substituted aromatic hydrocarbon or heterocyclic residue which contains at least one hetero atom; X is a direct bond or a spacer having an atomic length of two or less between the R3 group and the ring W group; W is an optionally substituted aromatic hydrocarbon or heterocyclic residue which contains at least one hetero atom; a,c and d are independently selected from the group consisting of one or two optionally substituted carbon atoms and one or two optionally substituted hetero atoms; b and e are independently selected from the group consisting of one optionally substituted carbon atom and one optionally substituted nitrogen atom; the dotted line is a bond to form one double bond; n is an integer of 1 or 2 and when a, which is an optionally substituted carbon atom, is taken together with R1, the following group: may form a ring group; provided that when is a benzimidazole, thieno[3,4-d]imidazole, or thieno[2,3-d]imidazole ring, at least one of the group: and R3 is an optionally substituted heterocyclic residue ; and the pharmaceutically acceptable salts thereof, have potent angiotensin II antagonistic activity and antihypertensive activity, thus being useful as therapeutic agents for treating circulatory system diseases such as hypertensive diseases, heart diseases (e.g. hypercardia, heart failure, cardiac infarction, etc.), strokes, cerebral apoplexy, nephritis, etc.

  式(I)的融合杂环化合物： 其中 R1 是可通过杂原子连接的任选取代的烃残基；R2 是可形成阴离子的基团或可转化为阴离子的基团；R3 是至少含有一个杂原子的任选取代的芳香烃或杂环残基；X 是 R3 基团与环 W 基团之间的直接键或原子长度为两个或更短的间隔键；W 是至少含有一个杂原子的任选取代的芳香烃或杂环残基； a、c 和 d 独立地选自由一个或两个任选取代的碳原子和一个或两个任选取代的杂原子组成的组；b 和 e 独立地选自由一个任选取代的碳原子和一个任选取代的氮原子组成的组；虚线是形成一个双键的键；n 是 1 或 2 的整数，当作为任选取代的碳原子的 a 与 R1 合在一起时，以下基团 可形成一个环状基团；但当 是苯并咪唑、噻吩并[3,4-d]咪唑或噻吩并[2,3-d]咪唑环时，至少有一个基团： 和 R3 是任选取代的杂环残基；其药学上可接受的盐类具有强效的血管紧张素 II 拮抗活性和降压活性，因此可作为治疗剂用于治疗循环系统疾病，如高血压疾病、心脏病（如心动过速、心力衰竭、心肌梗塞等）、中风、脑中风、肾炎等。
• Fused heterocyclic compounds, their production and use
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0518033B1

  公开（公告）日：2003-07-02