5-Amino-1-cyan-1,2-dihydro-benzo-cyclobuten-hydrochlorid | 99718-04-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5-Amino-1-cyan-1,2-dihydro-benzo-cyclobuten-hydrochlorid
• 英文别名: 5-amino-1-cyanobenzocyclobutane；4-amino 7-cyano bicyclo[4.2.0]1,3,5-octatriene；5-Amino-1-Cyanobenzocyclobutene；4-aminobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
• CAS: 99718-04-4
• 化学式: C₉H₈N₂
• mdl: MFCD19207297
• 分子量: 144.176
• InChiKey: MBCAQKCDHFRESF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Amino-1-cyan-1,2-dihydro-benzo-cyclobuten-hydrochlorid 生成 4-氟双环[4.2.0]辛-1,3,5-三烯-7-甲腈
  参考文献：
  名称：

  Bicyclo (4.2.0) 1,3,5-octatriene compounds and use as .alpha.-adrenergics

  摘要：

  公式为：##STR1## 其中：R.sub.1和R.sub.2各自独立地代表氢、卤素、烷基或具有1至4个碳原子的烷氧基，磺酰胺可能被1至4个碳原子的烷基基团取代；或者一起成为亚甲二氧基，n为0或1，为外消旋或光学异构体形式，以及它们与药学上可接受的酸的加成盐。在治疗与肾上腺素受体相关的疾病和/或病症方面有用，这种关系在艺术中是众所周知的。

  公开号：

  US04567181A1
• 作为产物：
  描述：

  1-Cyan-5-nitrobenzocyclobuten 在 palladium on activated charcoal 氢气 作用下， 生成 5-Amino-1-cyan-1,2-dihydro-benzo-cyclobuten-hydrochlorid
  参考文献：
  名称：

  Benzocyclobutenes. I. Nitration of 1-cyanobenzocyclobutene

  摘要：

  DOI：

  10.1021/jo01272a068

文献信息

• [EN] TRICYCLIC HETEROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES TRICYCLIQUES
  申请人：ORGANON NV

  公开号：WO2009037220A1

  公开（公告）日：2009-03-26

  The present invention relates to a tricyclic heterocyclic derivative of Formula (I) wherein the variables are as defined in the specification. The present invention further relates to pharmaceutical compositions comprising these compounds and to their use in therapy, in particular for the treatment of serotonin-mediated disorders such as obesity, schizophrenia and cognitive dysfunction.

  本发明涉及式(I)所示的三环杂环衍生物，其中变量如说明书中所定义。本发明进一步涉及包含这些化合物的药物组合物及其在治疗中的应用，特别是用于治疗由血清素介导的疾病，如肥胖、精神分裂症和认知功能障碍。
• Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds
  申请人：——

  公开号：US20020019380A1

  公开（公告）日：2002-02-14

  A compound selected from those of formula (I): 1 wherein: overscore (_____)} denotes single bond or double bond, n is integer from 1 to 6 inclusive, R 1 , and R 2 represent a group selected from hydrogen, linear or branched (C 1 -C 6 )-alkyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, alkenyl, alkynyl, heterocycloalkyl, heterocycloalkylalkyl, heteroaryl, and heteroarylalkyl, X represents a group selected from —CH═CH—, oxygen, S(O) m wherein m is integer from 0 to 2 inclusive, and NR 3 wherein R 3 represents a group as defined in the description, Y represents CH or CH 2 depending on whether _____ denotes single bond or double bond, or may have the additional meaning of oxygen when X represents oxygen, T represents monocyclic or polycyclic (C 3 -C 10 )cycloalkyl optionally containing within the ring system oxygen, selenium, S(O) p , NR 3 , or SiR 4 R 5 wherein p, R 3 , R 4 , and R 5 are as defined in the description, its isomers and addition salts thereof with a pharmaceutically-acceptable acid or base, and medicinal products containing the same are useful in the treatment of CNS disorders.

  从以下通式（I）的化合物中选择的一种化合物：1其中：overscore (_____)}表示单键或双键，n是1至6（含）的整数，R1和R2表示从氢、直链或支链（C1-C6）-烷基、芳基、芳基烷基、环烷基、环烷基烷基、烯基、炔基、杂环烷基、杂环烷基烷基、杂芳基和杂芳基烷基中选择的基团，X表示从—CH═CH—、氧、S(O)m（其中m是0至2（含）的整数）和NR3（其中R3表示如说明书中定义的基团）中选择的基团，Y表示CH或CH2取决于_____表示单键或双键，或者当X表示氧时，Y还可以有氧的含义，T表示含或不含环系统内氧、硒、S(O)p、NR3或SiR4R5的单环或多环（C3-C10）环烷基（其中p、R3、R4和R5如说明书中定义），其异构体和与药学上可接受的酸或碱形成的加成盐，以及含有这些化合物的药物制剂，可用于治疗中枢神经系统疾病。
• TRICYCLIC HETEROCYCLIC DERIVATIVES
  申请人：Grove Simon James Anthony

  公开号：US20100210680A1

  公开（公告）日：2010-08-19

  The present invention relates to a tricyclic heterocyclic derivative of Formula (I) wherein the variables are as defined in the specification. The present invention further relates to pharmaceutical compositions comprising these compounds and to their use in therapy, in particular for the treatment of serotonin-mediated disorders such as obesity, schizophrenia and cognitive dysfunction.

  本发明涉及式（I）的三环杂环衍生物，其中变量如规范中所定义。本发明还涉及包含这些化合物的制药组合物以及它们在治疗中的使用，特别是用于治疗由5-羟色胺介导的疾病，如肥胖症，精神分裂症和认知功能障碍。
• Cyclobutaindolecarboxamide compounds
  申请人：——

  公开号：US20010044426A1

  公开（公告）日：2001-11-22

  A compound selected from those of formula (I): 1 wherein: n represents integer from 0 to 6, R 1 represents a group selected from hydrogen, hydroxy, cyano, alkoxy, alkoxycarbonyl, carboxy, optionally substituted aminocarbonyl, and NR 4 R 5 wherein R 4 , and R 5 are as defined in the description, 2 represents a group selected from hydrogen, alkyl, hydroxymethyl, and -U-V-W wherein T, U, V, and W are as defined in the description, and R 3 represents a group selected from hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl, and, heteroaryl, its isomers, and also addition salts thereof with a pharmaceutically-acceptable acid or base, and medicinal products containing the same are useful in the treatment of CNS disorders.

  从公式（I）中选择的化合物：其中：n表示0至6的整数，R1表示从氢，羟基，氰基，烷氧基，烷氧羰基，羧基，可选择取代的氨基羰基和NR4R5中选择的基团，其中R4和R5如描述中所定义，2表示从氢，烷基，羟甲基和-U-V-W中选择的基团，其中T，U，V和W如描述中所定义，以及R3表示从氢，直链或支链（C1-C6）烷基，芳基和杂环芳基中选择的基团，其异构体，以及与药学上可接受的酸或碱形成的加合物，含有该化合物的药物在治疗中枢神经系统疾病方面有用。
• N-substituted arylcyclo butenyl-unsaturated cyclic imides
  申请人：The Dow Chemical Company

  公开号：US04965329A1

  公开（公告）日：1990-10-23

  The invention is a compound which comprises an unsaturated cyclic imide moiety and an aryl cyclobutene moiety, wherein the cyclobutene moiety is fused to the aryl radical, and wherein the imide nitrogen is connected to the aryl radical by a direct bond or a bridging member. Another aspect of this invention is a polyimide polymeric composition which results from the polymerization of the above-described compounds.

  该发明涉及一种化合物，其包括不饱和环状酰亚胺基团和芳基环丁烯基团，其中环丁烯基团与芳基基团融合，且酰亚胺氮原子通过直接键或桥连成员与芳基基团连接。该发明的另一个方面是一种聚酰亚胺聚合物组合物，其由上述化合物的聚合物化而来。