3-n-Butyl-5-(4-cyanobenzyl) hydantoin | 74348-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-n-Butyl-5-(4-cyanobenzyl) hydantoin
• 英文别名: 4-[(1-butyl-2,5-dioxoimidazolidin-4-yl)methyl]benzonitrile
• CAS: 74348-12-2
• 化学式: C₁₅H₁₇N₃O₂
• 分子量: 271.319
• InChiKey: YZLXBKZEKXOBLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-n-butyl-5-(4-formylbenzyl) hydantoin 、 N,O-双(三氟乙酰基)羟胺 生成 3-n-Butyl-5-(4-cyanobenzyl) hydantoin
  参考文献：
  名称：

  VERGE, J. P.;ROSS, W. J.;SIMMONDS, R. G.;JAMIESON, W. B.

  摘要：

  DOI：

文献信息

• Treatment of immediate hypersensitivity diseases with aryl hydantoins
  申请人：Lilly Industries Limited

  公开号：US04241073A1

  公开（公告）日：1980-12-23

  Novel hydantoin compounds are described of the formula (I): ##STR1## wherein Ar is phenyl optionally substituted by up to three radicals selected from the group comprising C.sub.1-6 alkoxy, halogen, 1,3-dioxol-2-yl, hydroxy C.sub.1-4 alkoxy C.sub.1-4 alkyl, phenyl, hydroxyl, nitrile, C.sub.1-4 haloalkyl, C.sub.1-4 alkyl, C.sub.2-4 alkenyloxy, C.sub.1-4 alkoxycarbonyl or phenoxy optionally substituted by C.sub.1-4 haloalkyl, C.sub.1-4 alkoxy or halogen; or is thiophene optionally substituted by phenyl or by one or two C.sub.1-4 alkyl groups; R.sup.1 and R.sup.2 are independently hydrogen or taken together represent a chemical bond; R.sup.3 is hydrogen, C.sub.1-6 alkyl or C.sub.2-4 alkenyl; and R.sup.4 is C.sub.1-6 alkyl, C.sub.2-4 alkenyl, phenyl or benzyl; provided that R.sup.3 cannot be hydrogen when Ar is unsubstituted phenyl and R.sup.4 is n-butyl. The compounds are useful in the treatment of immediate hypersensitivity diseases including asthma.

  本发明涉及一种新型的氨基嘧啶化合物，其化学式为（I）：##STR1##其中Ar是苯基，可以被选自羟基C.sub.1-4烷氧基C.sub.1-4烷基，苯基，羟基，腈基，C.sub.1-4卤代烷基，C.sub.1-4烷基，C.sub.2-4烯基氧基，C.sub.1-4烷氧羰基或者可以被C.sub.1-4卤代烷基，C.sub.1-4烷氧基或卤素替代的苯氧基替代的基团替代的苯基；或者是噻吩基，可以被苯基或一个或两个C.sub.1-4烷基基团替代；R.sup.1和R.sup.2独立地是氢或者一起表示化学键；R.sup.3是氢，C.sub.1-6烷基或C.sub.2-4烯基；R.sup.4是C.sub.1-6烷基，C.sub.2-4烯基，苯基或苄基；但是当Ar是未取代的苯基且R.sup.4是正丁基时，R.sup.3不能是氢。这些化合物在治疗包括哮喘在内的即时超敏性疾病中有用。
• Thenyl hydantoins and anti-asthmatic compositions thereof
  申请人：Lilly Industries Limited

  公开号：US04293563A1

  公开（公告）日：1981-10-06

  Novel hydantoin compounds are described of the formula (I): ##STR1## wherein Ar is phenyl optionally substituted by up to three radicals selected from the group comprising C.sub.1-6 alkoxy, halogen, 1,3-dioxol-2-yl, hydroxy C.sub.1-4 alkoxy C.sub.1-4 alkyl, phenyl, hydroxyl, nitrile, C.sub.1-4 haloalkyl, C.sub.1-4 alkyl, C.sub.2-4 alkenyloxy, C.sub.1-4 alkoxycarbonyl or phenoxy optionally substituted by C.sub.1-4 haloalkyl, C.sub.1-4 alkoxy or halogen; or is thiophene optionally substituted by phenyl or by one or two C.sub.1-4 alkyl groups; R.sup.1 and R.sup.2 are independently hydrogen or taken together represent a chemical bond; R.sup.3 is hydrogen, C.sub.1-6 alkyl or C.sub.2-4 alkenyl; and R.sup.4 is C.sub.1-6 alkyl, C.sub.2-4 alkenyl, phenyl or benzyl; provided that R.sup.3 cannot be hydrogen when Ar is unsubstituted phenyl and R.sup.4 is n-butyl. The compounds are useful in the treatment of immediate hypersensitivity diseases including asthma.

  本发明涉及一种新的脲嘧啶类化合物，其化学式为(I)：##STR1## 其中Ar是苯基，该苯基可选地被选自包括C.sub.1-6烷氧基，卤素，1,3-二氧杂环-2-基，羟基C.sub.1-4烷氧基C.sub.1-4烷基，苯基，羟基，腈基，C.sub.1-4卤代烷基，C.sub.1-4烷基，C.sub.2-4烯氧基，C.sub.1-4烷氧基羧基或选自C.sub.1-4卤代烷基，C.sub.1-4烷氧基或卤素取代的苯氧基取代的基团，或是噻吩基，该噻吩基可选地被苯基或一个或两个C.sub.1-4烷基取代；R.sup.1和R.sup.2分别是氢或一起表示化学键；R.sup.3是氢，C.sub.1-6烷基或C.sub.2-4烯基；R.sup.4是C.sub.1-6烷基，C.sub.2-4烯基，苯基或苄基；但是当Ar是未取代的苯基且R.sup.4是正丁基时，R.sup.3不能是氢。这些化合物可用于治疗包括哮喘在内的即时超敏反应性疾病。
• Hydantoin compounds, their preparation and pharmaceutical formulations containing them
  申请人：Lilly Industries Limited

  公开号：EP0005647A1

  公开（公告）日：1979-11-28

  Hydantoin compounds are described, having the following formula wherein Ar is phenyl optionally substituted by up to three radicals selected from the group comprising C1-6 alkoxy, halogen, 1,3-dioxol-2-yl, hydroxy C1-4 alkoxy C1-4 alkyl, phenyl, hydroxyl, nitrile, C1-4 haloalkyl, C1-4 alkyl, C2-4 alkenyloxy, C1-4 alkoxycarbonyl or phenoxy optionally substituted by C1-4 haloalkyl, C1-4 alkoxy or halogen; or is thiophene optionally substituted by phenyl or by one or two C1-4 alkyl groups; R' and R2 are independently hydrogen or taken together represent a chemical bond; R3 is hydrogen, C1-6 alkyl or C2-4 alkenyl; and R4 is C1-6 alkyl, C2-4 alkenyl, phenyl or benzyl; provided that R3 cannot be hydrogen when Ar is unsubstituted phenyl and R4 is n-butyl. The compounds are useful in the prophylactic treatment of asthma in mammals.

  所述的海因化合物具有下式 其中 Ar 是苯基，可任选被最多三个基团取代，这三个基团选自 C1-6 烷氧基、卤素、1,3-二氧戊环-2-基、羟基 C1-4 烷氧基、C1-4 烷基、苯基、羟基、腈基、C1-4 卤代烷基、C1-4 烷基、C2-4 烯氧基、C1-4 烷氧羰基或任选被 C1-4 卤代烷基、C1-4 烷氧基或卤素取代的苯氧基； 或任选被苯基或一个或两个 C1-4 烷基取代的噻吩； R' 和 R2 独立为氢或共同代表一个化学键； R3 是氢、C1-6 烷基或 C2-4 烯基；以及 R4 是 C1-6 烷基、C2-4 烯基、苯基或苄基； 但当 Ar 为未取代苯基且 R4 为正丁基时，R3 不能为氢。 这些化合物可用于哺乳动物哮喘的预防性治疗。
• US4241073A
  申请人：——

  公开号：US4241073A

  公开（公告）日：1980-12-23
• US4293563A
  申请人：——

  公开号：US4293563A

  公开（公告）日：1981-10-06