2-cyanocyclohexylideneacetyl chloride | 113001-98-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 2-cyanocyclohexylideneacetyl chloride
• 英文别名: cyclohexylidene cyanoacetylchloride；2-cyano-2-cyclohexylidene-acetyl chloride；Cyano(cyclohexylidene)acetyl chloride；2-cyano-2-cyclohexylideneacetyl chloride
• CAS: 113001-98-2
• 化学式: C₉H₁₀ClNO
• 分子量: 183.637
• InChiKey: ORSLSICNOCFKGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-cyanocyclohexylideneacetyl chloride 以 苯 为溶剂， 反应 5.0h， 生成 1-(4-hydroxyphenyl)-5-cyano-4-oxo-2-thioxo-1,3-diazaspiro<5,5>undecane
  参考文献：
  名称：

  Dzurilla, Milan; Forgac, Ondrej; Kutschy, Peter, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 4, p. 989 - 994

  摘要：

  DOI：
• 作为产物：
  描述：

  亚异丙炔腈酸环己酯 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以61%的产率得到2-cyanocyclohexylideneacetyl chloride
  参考文献：
  名称：

  α-Isocyanatoacrylonitriles from Alkylidene- or Arylidenecyanoacetic Acids; Synthesis and Reactions

  摘要：

  Curtius 反应以立体特异性的方式将亚烷基或亚芳基氰基乙酸转化为δ-异氰酸基丙烯腈。通过这些多功能中间体，可以很容易地获得芳基乙酸和各种氨基酸衍生物，以及δ-内酰胺或 2-氮杂丁二烯。

  DOI：

  10.1055/s-1994-25405

文献信息

• [EN] INGENOL-3-ACYLATES I<br/>[FR] INGÉNOL-3-ACYLATES I
  申请人：LEO PHARMA AS

  公开号：WO2012085189A1

  公开（公告）日：2012-06-28

  The invention relates to compounds of general formula (I) wherein R is (C1-C7)alkyl, (C2-C7)alkenyl or (C2-C7)alkynyl; wherein R is substituted with R1; and pharmaceutically acceptable salts, hydrates, or solvates thereof, for use -alone or in combination with one or more other pharmaceutically active compounds- in therapy, for preventing, treating or ameliorating diseases or conditions responsive to stimulation of neutrophil oxidative burst, responsive to stimulation of keratinocyte IL-8 release or responsive to induction of necrosis.

  本发明涉及一般式(I)的化合物，其中R为(C1-C7)烷基，(C2-C7)烯基或(C2-C7)炔基；其中R被R1取代；以及其药学上可接受的盐、水合物或溶剂化物，用于治疗、预防、治疗或改善对中性粒细胞氧化爆发刺激、角质细胞IL-8释放刺激或坏死诱导反应敏感的疾病或病情，可以单独使用或与一个或多个其他药物活性化合物结合使用。
• Benzimidazole cyclooxygenase-2 inhibitors
  申请人：——

  公开号：US20030013886A1

  公开（公告）日：2003-01-16

  This invention provides a compound of the following formula: 1 Or the pharmaceutically acceptable salts thereof, wherein Ar is heteroaryl; X 1 and X 2 are independently selected from halo, C 1 -C 4 alkyl, hydroxy, C 1 -C 4 alkoxy, amino, C 1 -C 4 alkanoyl, carboxy, carbamoyl, cyano, nitro, mercapto, (C 1 -C 4 alkyl)thio, (C 1 -C 4 alkyl)sulfinyl, (C 1 -C 4 alkyl)sulfonyl, aminosulfonyl, or the like; R 1 is selected from hydrogen,. straight or branched C 1 -C 4 alkyl, C 3 -C 8 cycloalkyl, C 4 -C 8 cycloalkenyl, phenyl , heteroaryl and the like; R 2 and R 3 are independently selected from hydrogen, halo, C 1 -C 4 alkyl, phenyl and the like; or R 1 and R 2 can form, together with the carbon atom to which they are attached, a C 5 -C 7 cycloalkyl ring; and m and n are independently 0, 1, 2 or 3. These compounds and pharmaceutical compositions containing such compounds are useful as analgesics and anti-inflammatory agents.

  本发明提供以下式的化合物：1或其药学上可接受的盐，其中Ar是杂环芳基；X1和X2分别选自卤素，C1-C4烷基，羟基，C1-C4烷氧基，氨基，C1-C4酰基，羧基，氨基甲酰基，氰基，硝基，巯基，(C1-C4烷基)硫基，(C1-C4烷基)亚砜基，(C1-C4烷基)磺酰基，氨基磺酰基，或类似物；R1选自氢，直链或支链C1-C4烷基，C3-C8环烷基，C4-C8环烯基，苯基，杂环芳基等；R2和R3分别选自氢，卤素，C1-C4烷基，苯基等；或R1和R2可以与它们所连接的碳原子一起形成C5-C7环烷基环；m和n分别独立地为0、1、2或3。这些化合物和含有这些化合物的药物组合物在作为镇痛和抗炎药物方面是有用的。
• Benzimidazole cyclooxygenase-2 inhibitor
  申请人：Pfizer Inc

  公开号：US20040181062A1

  公开（公告）日：2004-09-16

  This invention provides a compound of the following formula: 1 or the pharmaceutically acceptable salts thereof, wherein Ar is heteroaryl; X 1 and X 2 are independently selected from halo, C 1 -C 4 alkyl, hydroxy, C 1 -C 4 alkoxy, amino, C 1 -C 4 alkanoyl, carboxy, carbamoyl, cyano, nitro, mercapto, (C 1 -C 4 alkyl)thio, (C 1 -C 4 alkyl)sulfinyl, (C 1 -C 4 alkyl)sulfonyl, aminosulfonyl, or the like; R 1 is selected from hydrogen, straight or branched C 1 -C 4 alkyl, C 3 -C 8 cycloalkyl, C 4 -C 8 cycloalkenyl, phenyl, heteroaryl and the like; R 2 and R 3 are independently selected from hydrogen, halo, C 1 -C 4 alkyl, phenyl and the like; or R 1 and R 2 can form, together with the carbon atom to which they are attached, a C 5 -C 7 cycloalkyl ring; and m and n are independently 0, 1, 2 or 3. These compounds and pharmaceutical compositions containing such compounds are useful as analgesics and anti-inflammatory agents.

  这项发明提供了以下公式的化合物：1或其药学上可接受的盐，其中Ar是杂环芳基；X1和X2独立选择自卤素，C1-C4烷基，羟基，C1-C4烷氧基，氨基，C1-C4酰基，羧基，氨基甲酰基，氰基，硝基，巯基，（C1-C4烷基）硫醇基，（C1-C4烷基）亚砜基，（C1-C4烷基）磺酰基，氨基磺酰基等；R1选择自氢，直链或支链C1-C4烷基，C3-C8环烷基，C4-C8环烯基，苯基，杂环芳基等；R2和R3独立选择自氢，卤素，C1-C4烷基，苯基等；或者R1和R2可以与它们所附着的碳原子一起形成C5-C7环烷基环；m和n独立选择自0、1、2或3。这些化合物和含有这些化合物的药物组合物可用作镇痛剂和抗炎剂。
• INGENOL-3-ACYLATES I
  申请人：Grue-Sørensen Gunnar

  公开号：US20130324600A1

  公开（公告）日：2013-12-05

  The invention relates to compounds of general formula (I) wherein R is (C 1 -C 7 )alkyl, (C 2 -C 7 )alkenyl or (C 2 -C 7 )alkynyl; wherein R is substituted with R1; and pharmaceutically acceptable salts, hydrates, or solvates thereof, for use—alone or in combination with one or more other pharmaceutically active compounds—in therapy, for preventing, treating or ameliorating diseases or conditions responsive to stimulation of neutrophil oxidative burst, responsive to stimulation of keratinocyte IL-8 release or responsive to induction of necrosis.

  本发明涉及通式（I）的化合物，其中R为（C1-C7）烷基，（C2-C7）烯基或（C2-C7）炔基；其中R被R1取代；以及其药学上可接受的盐，水合物或溶剂化物，用于单独或与一个或多个其他药物活性化合物结合使用，在治疗中预防、治疗或改善对中性粒细胞氧化爆发刺激、对角质细胞IL-8释放刺激或对坏死诱导反应敏感的疾病或症状。
• Benzimidazole derivatives as cyclooxygenase-2 inhibitors
  申请人：PFIZER INC.

  公开号：EP0937722A1

  公开（公告）日：1999-08-25

  This invention provides a compound of the following formula: or the pharmaceutically acceptable salts thereof, wherein    Ar is heteroaryl; X1 and X2 are independently selected from halo, C1-C4 alkyl, hydroxy, C1-C4 alkoxy, amino, C1-C4 alkanoyl, carboxy, carbamoyl, cyano, nitro, mercapto, (C1-C4 alkyl)thio, (C1-C4 alkyl)sulfinyl, (C1-C4 alkyl)sulfonyl, aminosulfonyl, or the like; R1 is selected from hydrogen, straight or branched C1-C4 alkyl, C3-C8 cycloalkyl, C4-C8 cycloalkenyl, phenyl, heteroaryl and the like; R2 and R3 are independently selected from hydrogen, halo, C1-C4 alkyl, phenyl and the like; or R1 and R2 can form, together with the carbon atom to which they are attached, a C5-C7 cycloalkyl ring; and m and n are independently 0, 1, 2 or 3. These compounds and pharmaceutical compositions containing such compounds are useful as analgesics and anti-inflammatory agents.

  本发明提供了一种下式化合物： 或其药学上可接受的盐，其中 Ar 是杂芳基；X1 和 X2 独立选自卤、C1-C4 烷基、羟基、C1-C4 烷氧基、氨基、C1-C4 烷酰基、羧基、氨基甲酰基、氰基、硝基、巯基、(C1-C4 烷基)硫基、(C1-C4 烷基)亚磺酰基、(C1-C4 烷基)磺酰基、氨基磺酰基或类似物；R1 选自氢、直链或支链 C1-C4 烷基、C3-C8 环烷基、C4-C8 环烯基、苯基、杂芳基等；R2 和 R3 独立地选自氢、卤代、C1-C4 烷基、苯基等；或 R1 和 R2 可与所连接的碳原子一起形成 C5-C7 环烷基环；以及 m 和 n 独立地为 0、1、2 或 3。 这些化合物和含有此类化合物的药物组合物可用作镇痛剂和消炎剂。