1-(Methoxymethyl)-6-phenyl-8-chloro-4H-s-triazolo<4,3-a><1,4>benzodiazepine | 37952-16-2

• 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: 1-(Methoxymethyl)-6-phenyl-8-chloro-4H-s-triazolo<4,3-a><1,4>benzodiazepine
• 英文别名: 8-chloro-1-methoxymethyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine；8-chloro-1-methoxy-methyl-6-phenyl-4H-S-triazolo[4,3-a](1,4)benzodiazepine；1-(methoxymethyl)-6-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine；8-chloro-1-(methoxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• CAS: 37952-16-2
• 化学式: C₁₈H₁₅ClN₄O
• 分子量: 338.796
• InChiKey: ICBHFKOKXBUCCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(Methoxymethyl)-6-phenyl-8-chloro-4H-s-triazolo<4,3-a><1,4>benzodiazepine 、 乙酰氯 以22%的产率得到
  参考文献：
  名称：

  HESTER J. B. JR., J. ORG. CHEM., 1979, 44, NO 23, 4165-4169

  摘要：

  DOI：
• 作为产物：
  描述：

  7-chloro-2-hydrazino-5-phenyl-3H-1,4-benzodiazepine 、 甲氧基乙酰氯 以66%的产率得到
  参考文献：
  名称：

  HESTER J. B. JR., J. ORG. CHEM., 1979, 44, NO 23, 4165-4169

  摘要：

  DOI：

文献信息

• Triazolobenzodiazepine derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04427590A1

  公开（公告）日：1984-01-24

  Compounds of the class of 6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-lower alkanols, and their ethers and esters, 1-(fluoro-lower alkyl)-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines and the 5-oxides and pharmaceutically acceptable acid addition salts thereof have central depressant properties, in particular antiaggressive and anticonvulsant actions, and are active ingredients for pharmaceutical compositions. Specific embodients are 6-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-methanol and 1-(fluoromethyl)6-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine.

  6-苯基-4H-s-三唑并[4,3-a][1,4]苯并二氮䓬-1-较低烷醇、它们的醚和酯、1-(氟较低烷基)-6-苯基-4H-s-三唑并[4,3-a][1,4]苯并二氮䓬-5-氧化物及其药学上可接受的酸加合物具有中枢抑制作用，特别是抗攻击和抗惊厥作用，并且是制药组合物的活性成分。具体实施例包括6-苯基-8-氯-4H-s-三唑并[4,3-a][1,4]苯并二氮䓬-1-甲醇和1-(氟甲基)6-苯基-8-氯-4H-s-三唑并[4,3-a][1,4]苯并二氮䓬-1。
• Triazolo-benzodiazepines
  申请人：The Upjohn Company

  公开号：US04902794A1

  公开（公告）日：1990-02-20

  1-Substituted-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines of the formula (III): ##STR1## wherein R is selected from the group consisting of hydroxy, esters thereof, and alkoxy, in which the alkyl group is of 1 to 3 carbon atoms, inclusive; wherein R.sub.1 is selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms, inclusive; and wherein R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are selected from the group consisting of hydrogen, alkyl of 1 to 3 carbon atoms, inclusive, halogen, nitro, cyano, trifluoromethyl, and alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkanoylamino, and dialkylamino in which the carbon chain moieties are of 1 to 3 carbon atoms, inclusive, are produced by condensing a 1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione of the formula (I): ##STR2## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are defined as above, with an organic acid hydrazide of the formula (II): ##STR3## wherein R' is selected from the group consisting of hydroxy, and alkoxy defined as above. When R' is hydroxy, esters can be made in conventional manner. The new products of formula III including their pharmacologically acceptable acid addition salts and N-oxides are useful as sedatives, tranquilizers and muscle relaxants in mammals and birds.

  公式（III）的1-取代-6-苯基-4H-s-三唑并[4,3-a][1,4]苯二氮平，其中R选择从羟基，其酯和烷氧基的群体中选择，其中烷基的碳原子为1到3个，包括；其中R1选择从氢和1到3个碳原子的烷基的群体中选择；其中R2，R3，R4和R5选择从羟基，1到3个碳原子的烷基，卤素，硝基，氰基，三氟甲基和烷氧基，烷基硫醚，烷基亚磺酰，烷基磺酰，烷酰胺和双烷基氨基中选择，其中碳链基团为1到3个碳原子，包括；通过将公式（I）的1,3-二氢-5-苯基-2H-1,4-苯二氮平-2-硫酮与公式（II）的有机酸腙缩合而制备。其中，R1，R2，R3，R4和R5如上所定义，R'选择从羟基和如上定义的烷氧基中选择。当R'为羟基时，酯可以以常规方式制备。公式III的新产品包括其药理学上可接受的酸盐和N-氧化物，可用作哺乳动物和鸟类的镇静剂，安定剂和肌肉松弛剂。
• US4427590A
  申请人：——

  公开号：US4427590A

  公开（公告）日：1984-01-24
• US4902794A
  申请人：——

  公开号：US4902794A

  公开（公告）日：1990-02-20
• HESTER J. B. JR., J. ORG. CHEM., 1979, 44, NO 23, 4165-4169
  作者：HESTER J. B. JR.

  DOI：——

  日期：——