10-chloro-11b-phenyl-2,3,5,11b-tetrahydrooxazolo[3,2-d] [1,4]benzodiazepin-6(7H)-one-5-carboxylic acid ethyl ester | 35142-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 10-chloro-11b-phenyl-2,3,5,11b-tetrahydrooxazolo[3,2-d] [1,4]benzodiazepin-6(7H)-one-5-carboxylic acid ethyl ester
• 英文别名: 10-Chlor-11b-phenyl-6-oxo-2,3,7,11b-tetrahydrooxazolo<3,2-d><1,4>benzodiazepin-5(6H)-carbonsaeureaethylester；10-Chlor-11b-phenyl-6-oxo-2,3,7,11b-tetrahydrooxazolo[3,2-d][1,4]benzodiazepin-5(6H)-carbonsaeureaethylester；ethyl 10-chloro-6-oxo-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepine-5-carboxylate
• CAS: 35142-51-9
• 化学式: C₂₀H₁₉ClN₂O₄
• 分子量: 386.835
• InChiKey: IHUPITYUTPEVKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环氧乙烷 、 7-氯-2,3-二氢-2-氧代-5-苯基-1H-1,4-苯并二氮杂卓-3-羧酸乙酯 在 四氯化锡 ammonium hydroxide 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 10-chloro-11b-phenyl-2,3,5,11b-tetrahydrooxazolo[3,2-d] [1,4]benzodiazepin-6(7H)-one-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Intermediates for tricyclic benzodiazepines

  摘要：

  描述了在三环苯二氮卓衍生物（“A”）中，1位位置带有一个氢氧基较低的烷基取代基，以及在苯二氮卓基团的4位和5位之间连接的杂环环。该杂环环将包含出现在苯二氮卓环的4位的氮原子，以及连接到苯二氮卓环5位的碳原子上的杂原子，该杂原子可能是氧或氮。“A”中带有新杂环环中的氧原子可以通过在酸催化剂存在下用环氧化合物处理相应的4,5-不饱和苯二氮卓制备而成。“A”中带有新杂环环中的氮或氧原子可以通过对应开放化合物的环化制备而成。“A”可用作镇静剂、肌肉松弛剂和抗惊厥剂。

  公开号：

  US03965151A1

文献信息

• Tricyclic benzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US03997591A1

  公开（公告）日：1976-12-14

  Tricyclic benzodiazepine derivatives (A) bearing a hydroxylower alkyl substituent in the 1-position and a heterocyclic ring joined between positions 4 and 5 of the benzodiazepine moiety are described. The heterocyclic ring will contain the nitrogen atom appearing at position 4 of the benzodiazepine ring as well as the hetero atom, which may be either oxygen or nitrogen, attached to the carbon atom at the 5-position of the benzodiazepine ring. "A" bearing an oxygen atom in the new heterocyclic ring may be formed from the corresponding 4,5-unsaturated benzodiazepines by treatment with an epoxide compound in the presence of an acid catalyst. "A" bearing either a nitrogen or an oxygen atom in the new heterocyclic ring may be prepared by cyclization of the corresponding open compound. "A" are useful as sedative, muscle relaxant and anti-convulsant agents.

  本文描述了一种三环苯二氮平衍生物（A），其1位带有羟基较低烷基取代基，且杂环环在苯二氮平基团的4和5位之间连接。杂环环将包含出现在苯二氮平环的4位的氮原子以及连接到苯二氮平环的5位碳原子的杂原子，可以是氧原子或氮原子。在新的杂环环中带有氧原子的“A”可以通过在存在酸催化剂的条件下用环氧化合物处理相应的4,5-不饱和苯二氮平制备而成。在新的杂环环中带有氮或氧原子的“A”可以通过相应的开放化合物的环化反应制备而成。这些“A”用作镇静剂、肌肉松弛剂和抗惊厥剂。
• Intermediates in the production of tricyclic benzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04014916A1

  公开（公告）日：1977-03-29

  Tricyclic benzodiazepine derivatives ("A") bearing a hydroxylower alkyl substituent in the 1-position and a heterocyclic ring joined between positions 4 and 5 of the benzodiazepine moiety are described. The heterocyclic ring will contain the nitrogen atom appearing at position 4 of the benzodiazepine ring as well as the hetero atom, which may be either oxygen or nitrogen, attached to the carbon atom at the 5-position of the benzodiazepine ring. "A" bearing an oxygen atom in the new heterocyclic ring may be formed from the corresponding 4,5-unsaturated benzodiazepines by treatment with an epoxide compound in the presence of an acid catalyst. "A" bearing either a nitrogen or an oxygen atom in the new heterocyclic ring may be prepared by cyclization of the corresponding open compound. "A" are useful as sedative, muscle relaxant and anti-convulsant agents.

  本文描述了三环苯二氮平衍生物（“A”），其在1位带有羟基较低烷基取代基，并在苯二氮平骨架的4和5位之间连接有杂环环。杂环环将包含出现在苯二氮平环4位的氮原子，以及连接在苯二氮平环5位碳原子上的杂原子，可以是氧原子或氮原子。“A”在新的杂环环中带有氧原子，可以通过在酸催化剂存在下用环氧化合物处理相应的4,5-不饱和苯二氮平制备而成。在新的杂环环中带有氮原子或氧原子的“A”可以通过相应的开放化合物的环化制备而成。“A”可用作镇静剂、肌肉松弛剂和抗癫痫药物。
• Intermediates for the production of tricyclic benzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04017532A1

  公开（公告）日：1977-04-12

  Tricyclic benzodiazepine derivatives ("A") bearing a hydroxylower alkyl substituent in the 1-position and a heterocyclic ring joined between positions 4 and 5 of the benzodiazepine moiety are described. The heterocyclic ring will contain the nitrogen atom appearing at position 4 of the benzodiazepine ring as well as the hetero atom, which may be either oxygen or nitrogen, attached to the carbon atom at the 5-position of the benzodiazepine ring. "A" bearing an oxygen atom in the new heterocyclic ring may be formed from the corresponding 4,5-unsaturated benzodiazepines by treatment with an epoxide compound in the presence of an acid catalyst. "A" bearing either a nitrogen or an oxygen atom in the new heterocyclic ring may be prepared by cyclization of the corresponding open compound. "A" are useful as sedative, muscle relaxant and anti-convulsant agents.

  本文介绍了三环苯二氮平衍生物（“A”），其中在1位上带有羟基较低烷基取代基，并且在苯二氮平骨架的4和5位之间连接了一个杂环环。杂环环将包含出现在苯二氮平环的4位的氮原子以及连接到苯二氮平环5位的碳原子上的杂原子，可以是氧原子或氮原子。“A”在新的杂环环中带有氧原子可以通过在酸催化剂的存在下用环氧化合物处理相应的4,5-不饱和苯二氮平化合物来形成。“A”在新的杂环环中带有氮原子或氧原子可以通过相应的开放化合物的环化制备。“A”可用作镇静剂、肌肉松弛剂和抗惊厥剂。
• US3997591A
  申请人：——

  公开号：US3997591A

  公开（公告）日：1976-12-14
• US3965151A
  申请人：——

  公开号：US3965151A

  公开（公告）日：1976-06-22