ethyl 2'-benzoyl-4'-chloro-malonanilate | 29177-68-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2'-benzoyl-4'-chloro-malonanilate
• 英文别名: Ethyl 3-(2-benzoyl-4-chloroanilino)-3-oxopropanoate
• CAS: 29177-68-2
• 化学式: C₁₈H₁₆ClNO₄
• 分子量: 345.782
• InChiKey: NTLAOZCBVXZKIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium nitrite 、 ethyl 2'-benzoyl-4'-chloro-malonanilate 在 oxime 、 水 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以Ethyl 2'-benzoyl-4'-chloro-mesoxalanilate 2-oxime, m.p. 98°-105° is obtained的产率得到ethyl 2'-benzoyl-4'-chloro-mesoxalanilate 2-oxime
  参考文献：
  名称：

  Intermediates for the production of tricyclic benzodiazepines

  摘要：

  本文描述了三环苯二氮平衍生物（“A”），其在1位具有一个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的5位碳原子上的杂原子，可以是氧原子或氮原子。在存在酸催化剂的情况下，通过用环氧化合物处理相应的4,5-不饱和苯二氮平来形成在新杂环环中具有氧原子的A。通过环化相应的开放化合物来制备在新杂环环中具有氮原子或氧原子的A。A可用作镇静剂、肌肉松弛剂和抗惊厥剂。

  公开号：

  US04017531A1

文献信息

• Intermediates for tricyclic benzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US03965151A1

  公开（公告）日：1976-06-22

  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.

  描述了带有1-位置羟基较低烷基取代基和异杂环环在苯二氮平骨架的4和5位置之间连接的三环苯二氮平衍生物（“A”）。异杂环环将包含出现在苯二氮平环的4位置的氮原子以及连接到苯二氮平环的5位置的碳原子上的杂原子（可以是氧原子或氮原子）。带有新异杂环环中的氧原子的“A”可通过在酸催化剂存在下用环氧化合物处理相应的4,5-不饱和苯二氮平衍生物来形成。带有新异杂环环中的氮原子或氧原子的“A”可以通过相应的开放化合物的环化制备。 “A”可用作镇静剂，肌肉松弛剂和抗惊厥剂。
• 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。
• 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