2-(2-Chloroethyl)-2,3-dihydro-2,4-dimethylpyrido[3,2-f]-1,4-oxazepin-5(4H)-one hydrochloride | 117449-83-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-Chloroethyl)-2,3-dihydro-2,4-dimethylpyrido[3,2-f]-1,4-oxazepin-5(4H)-one hydrochloride
• 英文别名: 2-(2-chloroethyl)-2,4-dimethyl-3H-pyrido[3,2-f][1,4]oxazepin-5-one;hydrochloride
• CAS: 117449-83-9
• 化学式: C₁₂H₁₅ClN₂O₂*ClH
• 分子量: 291.177
• InChiKey: FNMGPUODFAXIBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Chloroethyl)-2,3-dihydro-2,4-dimethylpyrido[3,2-f]-1,4-oxazepin-5(4H)-one hydrochloride 生成 2-(2-chloroethyl)-2,4-dimethyl-3H-pyrido[3,2-f][1,4]oxazepine-5-thione;hydrochloride
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-二甲基-3-吡咯烷醇 、 2-氯烟酸 生成 2-(2-Chloroethyl)-2,3-dihydro-2,4-dimethylpyrido[3,2-f]-1,4-oxazepin-5(4H)-one hydrochloride
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur
  申请人：A. H. Robins Company, Inc.

  公开号：US04592866A1

  公开（公告）日：1986-06-03

  Aromatic azepinones and thiones having the formula ##STR1## wherein; A is benzene, naphthalene, quinoline or pyridine; B is oxygen or sulfur; E is oxygen, sulfur or ##STR2## n is 1, 2 or 3; Z is an amino or a heterocyclic nitrogen containing radical; R is hydrogen, loweralkyl, cycloalkyl or phenylloweralkyl; and having antihistaminic utility, a process for the preparation thereof and chemical intermediates therefor are disclosed.

  具有式##STR1##所示结构的芳香性氮杂环庚酮和噻庚酮，其中：A为苯、萘、喹啉或吡啶；B为氧或硫；E为氧、硫或##STR2##（即亚氨基）；n为1、2或3；Z为氨基或含杂环氮的基团；R为氢、低级烷基、环烷基或苯基低级烷基；并具有抗组胺效用，其制备方法及其中间体化学品均已公开。
• Intermediates useful in the preparation of fused aromatic oxazepinones,
  申请人：A. H. Robins Company, Inc.

  公开号：US04727152A1

  公开（公告）日：1988-02-23

  Chemical intermediates having the formula: ##STR1## wherein A represents an aromatic or heterocyclic ring system selected from benzene, a naphthalene, a quinoline or a pyridine in any of its four positions, any of the rings systems are optionally substituted by one or two Y radicals selected from the group consisting of halo, loweralkyl, loweralkoxy, diloweralkylamino, nitro or trifluoromethyl; R is selected from the group consisting of loweralkyl, cycloalkyl or phenylloweralkyl wherein phenyl is optionally substituted by one or two radicals selected from halo, loweralkyl, loweralkoxy, nitro or trifluoromethyl; R.sup.4 and R.sup.5 are selected from hydrogen or loweralkyl; n is 1 or 2; X is selected from chlorine, bromine, or fluorine and E is selected from sulfur, oxygen or ##STR2## and chemical intermediates having the formula: ##STR3## wherein A, R, R.sup.4, R.sup.5, E and n are as defined above and Q is selected from the group consisting of ##STR4## wherein R.sup.3 is hydrogen, an acid neutralizing ion or an esterifying radical; with the proviso that when n is 2 and E is oxygen, A is other than phenyl or substituted phenyl. These chemical intermediates are useful in the preparation of oxazepinones, thiazepinones and diazepinones which exhibit antihistaminic activity.

  化学中间体的化学式为：##STR1## 其中A代表苯、萘、喹啉或吡啶中的任意一个芳香或杂环环系，在任何四个位置上选择，任何一个环系都可以选择由卤、低烷基、低烷氧基、二低烷基氨基、硝基或三氟甲基中的一个或两个Y基团取代；R选自低烷基、环烷基或苯基低烷基，其中苯基可以选择由卤、低烷基、低烷氧基、硝基或三氟甲基中的一个或两个基团取代；R.sup.4和R.sup.5选自氢或低烷基；n为1或2；X选择氯、溴或氟，E选择硫、氧或##STR2## 化学中间体的化学式为：##STR3## 其中A、R、R.sup.4、R.sup.5、E和n的定义如上所述，Q选择##STR4## 其中R.sup.3为氢、酸中和离子或酯化基团；但当n为2且E为氧时，A不是苯或取代苯。这些化学中间体在制备具有抗组胺活性的噁唑烷酮、噻唑烷酮和二嗪烷酮方面非常有用。
• Certain 2,5 and 2,5,6-di- and tri-substituted nicotinic acid
  申请人：A. H. Robins Company, Incorporated

  公开号：US04810795A1

  公开（公告）日：1989-03-07

  Aromatic azepinones and thiones having the formula ##STR1## wherein; A is benzene, naphthalene, quinoline or pyridine; B is oxygen or sulfur; ##STR2## E is oxygen, sulfur or n is 1, 2 or 3; Z is an amino or a heterocyclic nitrogen-containing radical; R is hydrogen, loweralkyl, cycloalkyl or phenyl-loweralkyl; Y is halo, loweralkyl, loweralkoxy, diloweralkylamino, nitro, amino, loweracetylamino, trifluoromethyl, phenyl or phenyl substituted by one to three Y' radicals selected from halo, loweralkyl, loweralkoxy, diloweralkylamino, nitro, amino, loweracylamino or trifluoromethyl; and having antihistaminic utility, a process for the preparation thereof and chemical intermediates therefor are disclosed.

  公开了具有以下公式的芳香族氮杂七元酮和硫酮：##STR1## 其中；A为苯，萘，喹啉或吡啶；B为氧或硫；##STR2## E为氧，硫或n为1、2或3；Z为氨基或含氮杂环的杂环基；R为氢，低烷基，环烷基或苯基-低烷基；Y为卤素，低烷基，低烷氧基，二低烷基氨基，硝基，氨基，低乙酰氨基，三氟甲基，苯基或由一到三个Y'基选择的卤素，低烷基，低烷氧基，二低烷基氨基，硝基，氨基，低乙酰氨基或三氟甲基取代的苯基；具有抗组胺作用，公开了其制备方法和化学中间体。
• ——
  作者：CALE A. D.

  DOI：——

  日期：——
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  作者：LEONARD C. A.、 FRANKO B. V.、 CALE A. D., JR.

  DOI：——

  日期：——