5-oxo-8-(2,2,2-trifluoro-acetylamino)-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester | 64182-73-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-oxo-8-(2,2,2-trifluoro-acetylamino)-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester
• 英文别名: 3-carbobenzoxy-2,3,4,4a-tetrahydro-8-(2,2,2-trifluoroacetamido)-1H-pyrazino[1,2-a] quinoxalin-5(6H)-one；3-Carbobenzoxy-2,3,4,4a-tetrahydro-8-(2,2,2-trifluoracetamido)-1H-pyrazino<1.2-a>chinoxalin-5(6H)-on；benzyl 5-oxo-8-[(2,2,2-trifluoroacetyl)amino]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate
• CAS: 64182-73-6
• 化学式: C₂₁H₁₉F₃N₄O₄
• 分子量: 448.401
• InChiKey: FSFWJLSKJYIANU-UHFFFAOYSA-N

物化性质

• 沸点：
  644.7±55.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-oxo-8-(2,2,2-trifluoro-acetylamino)-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 8-amino-5-oxo-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester
  参考文献：
  名称：

  2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and

  摘要：

  该化合物的分子式为##STR1##其中R为氢（较低）烷基，苯（较低）烷基，苯甲酰（较低）烷基或对-卤苯甲酰（较低）烷基；R.sup.1为氢或（较低）烷基；R.sup.2为氢，（较低）烷基，（较低）甲氧基，氯，氟，三氟甲基或氨基，位于7、8或9位置；R.sup.3为氢或（较低）烷基；R.sup.4为氢，（较低）烷基，（较低）甲氧基，氯，氟或三氟甲基，位于7、8或9位置；或其无毒酸加合物盐；对高血压动物产生降压作用。

  公开号：

  US04032639A1
• 作为产物：
  描述：

  4-Carbobenzoxy-1-(2-nitro-4-trifluoracetamidophenyl)-piperazin-2-carbonsaeure 在 铁粉 、 溶剂黄146 作用下， 生成 5-oxo-8-(2,2,2-trifluoro-acetylamino)-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester
  参考文献：
  名称：

  Synthesis and 5-Hydroxytryptamine (5-HT) activity of 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-Hexahydro-1H-pyrazino[1,2-a]quinoxalines

  摘要：

  A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]-quinoxalines was shown to exhibit 5-HT2C agonist binding and Functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague-Dawley rats with ED50 values of 2 mg/kg (ip) and 10 mg/kg (po). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00400-5

文献信息

• 4-Carbobenzoxypiperazine-2-carboxylic acid chemical intermediate
  申请人：American Home Products Corporation

  公开号：US04182869A1

  公开（公告）日：1980-01-08

  Compounds of the formula ##STR1## wherein R is hydrogen (lower)alkyl, phen(lower)alkyl, benzoyl(lower)alkyl, or p-halobenzoyl(lower)alkyl; R.sup.1 is hydrogen or (lower)alkyl; R.sup.2 is hydrogen, (lower)alkyl, (lower)alkoxy, chlorine, fluorine, trifluoromethyl, or amino in the 7-, 8-, or 9-position; R.sup.3 is hydrogen, or (lower)alkyl; and R.sup.4 is hydrogen, (lower)alkyl, (lower)alkoxy, chlorine, fluorine, or trifluoromethyl in the 7-, 8-, or 9-position; or the non-toxic acid addition salts thereof; exert a hypotensive effect in hypertensive animals. Also disclosed are chemical intermediates including 4-carbobenzoxypiperazine-2-carboxylic acid.

  该配方的化合物##STR1##其中R为氢（较低）烷基，苯（较低）烷基，苯甲酰（较低）烷基或对卤苯甲酰（较低）烷基; R.sup.1为氢或（较低）烷基; R.sup.2为氢，（较低）烷基，（较低）烷氧基，氯，氟，三氟甲基或7-，8-或9-位的氨基; R.sup.3为氢或（较低）烷基; R.sup.4为氢，（较低）烷基，（较低）烷氧基，氯，氟或三氟甲基，位于7-，8-或9-位; 或其无毒酸盐; 对高血压动物具有降压作用。还公开了包括4-羧基苯甲酰基哌嗪-2-羧酸在内的化学中间体。
• 4-(Lower)alkyl-1-(o-nitrophenyl)piperazine-2-carboxylic acid chemical
  申请人：American Home Products Corporation

  公开号：US04182872A1

  公开（公告）日：1980-01-08

  Compounds of the formula ##STR1## wherein R is hydrogen (lower)alkyl, phen(lower)alkyl, benzoyl(lower)alkyl, or p-halobenzoyl(lower)alkyl; R.sup.1 is hydrogen or (lower)alkyl; R.sup.2 is hydrogen, (lower)alkyl, (lower)alkoxy, chlorine, fluorine, trifluoromethyl, or amino in the 7-, 8-, or 9-position; R.sup.3 is hydrogen, or (lower)alkyl; and R.sup.4 is hydrogen, (lower)alkyl, (lower)alkoxy, chlorine, fluorine, or trifluoromethyl in the 7-, 8-, or 9-position; or the non-toxic acid addition salts thereof; exert a hypotensive effect in hypertensive animals. Also disclosed are chemical intermediates, including 4-(lower)alkyl-1-(o-nitrophenyl)piperazine-2-carboxylic acids.

  化合物的化学式为##STR1##其中R为氢（低）烷基，苯（低）烷基，苯甲酰（低）烷基或对卤苯甲酰（低）烷基；R.sup.1为氢或（低）烷基；R.sup.2为氢，（低）烷基，（低）烷氧基，氯，氟，三氟甲基或7-，8-或9-位上的氨基；R.sup.3为氢或（低）烷基；R.sup.4为氢，（低）烷基，（低）烷氧基，氯，氟或三氟甲基或7-，8-或9-位上的氨基；或其无毒酸盐。这些化合物对高血压动物具有降压作用。还披露了化学中间体，包括4-（低）烷基-1-（o-硝基苯基）哌嗪-2-羧酸。
• Amino-dibenzopyrans, their preparation, formulations containing them and their use as pharmaceuticals
  申请人：ELI LILLY AND COMPANY

  公开号：EP0003883A1

  公开（公告）日：1979-09-05

  There are described novel 1-hydroxy-3- substituted- tet- rahydro and hexahydro- dibenzo[b, d]- pyrans having an amino group or amino derivative at the 9-position, of the following formula: in which R1, R2, R' and Z are as defined herein. The compounds are useful as analgesics, anti-depressants anti-anxiety agents, hypotensive agents and as intermediates for the preparation of other compounds.

  描述了新型 1-羟基-3-取代-四-拉氢和六-氢-二苯并[b,d]-吡喃，其 9 位上具有下式的氨基或氨基衍生物： 其中 R1、R2、R'和 Z 如本文所定义。这些化合物可用作镇痛剂、抗抑郁剂、抗焦虑剂、降血压剂以及制备其他化合物的中间体。
• US4032639A
  申请人：——

  公开号：US4032639A

  公开（公告）日：1977-06-28
• US4089958A
  申请人：——

  公开号：US4089958A

  公开（公告）日：1978-05-16