3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-ethyl]-2,4-(1H,3H)quinazolinedione | 88068-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-ethyl]-2,4-(1H,3H)quinazolinedione
• 英文别名: 3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione；3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
• CAS: 88068-67-1
• 化学式: C₂₁H₂₄N₄O₃
• 分子量: 380.447
• InChiKey: ZFDWAPWETDMDSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  210-212 °C(Solv: isopropanol (67-63-0))
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  65.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-ethyl]-2,4-(1H,3H)quinazolinedione 生成 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione;hydrate;hydrochloride
  参考文献：
  名称：

  NAGANO, HIROYUKI;TAKAGI, MITIRO;KUBODERA, NOBORU;MATSUNAGA, ISAO;NABATA, +

  摘要：

  DOI：
• 作为产物：
  描述：

  3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furo[3,4-d]pyrimidine-2,4-dione 在 硫酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 25.0~80.0 ℃ 、689.48 kPa 条件下， 反应 72.75h， 生成 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-ethyl]-2,4-(1H,3H)quinazolinedione
  参考文献：
  名称：

  Investigations into a mild Diels-Alder approach to 6-substituted quinazoline-2,4-dione derivatives

  摘要：

  Furo[3,4-d]pyrimidine-2,4-dione (2) has been reacted with a number of dienophiles to give the Diels-Alder adducts such as 3 and 4 under very mild reaction conditions. Methyl acrylate gives only two regioisomeric endo products which have been isolated and characterized. Other dienophiles give mixtures of endo and exo products as well as of regioisomers. The product ratios were determined by high field H-1 NMR analysis. These adducts are dehydrated by treatment with acid to form some novel quinazoline-2,4-dione derivatives.

  DOI：

  10.1021/jo00001a046

文献信息

• Phenyliperazine derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US04578465A1

  公开（公告）日：1986-03-25

  Phenylpiperazine derivatives of the formula: ##STR1## wherein R.sub.1 is a hydrogen atom or a straight- or branched-chain saturated or unsaturated alkyl group having 1 to 8 carbon atoms which may be substituted at any position by a hydroxyl group, a carboxyl group, a lower alkoxycarbonyl group or an oxo group; and R.sub.2 is a hydrogen atom, a halogen atom, a lower alkyl group or a sulfamoyl group, and a process for producing the same are disclosed. The derivatives of the formula have alpha blocking and serotonin antagonizing activities and are useful as a drug.

  公式：##STR1## 其中R.sub.1是氢原子或具有1至8个碳原子的直链或支链饱和或不饱和烷基，其任何位置可以被羟基，羧基，较低的烷氧羰基或氧代基取代; R.sub.2是氢原子，卤素原子，较低的烷基或磺酰氨基。本发明揭示了一种生产这些衍生物的方法。该公式的衍生物具有α阻滞和血清素拮抗活性，并可用作药物。
• Phenylpiperazine derivatives and their acid addition salts
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0161498A1

  公开（公告）日：1985-11-21

  A phenylpiperazine derivative according to the present invention has the following general formula [I]: wherein R1, R2 and R3 are independently hydrogen or alkoxy group having 1 to 3 carbon atoms, or R1 and R2 or R2 and R3 together with carbon atoms to which they are attached form -O(CH2)mO- wherein m is an integer of 1 to 3, or either R1 or R2 is amine residue selected from the group consisting of-NH2, -NHSO2CH3, -NHCOCH3 and -NHCONH2 and the other is hydrogen or alkoxy group of 1 to 3 carbon atoms and R3 is hydrogen; R4 and R5 are independently hydrogen or alkyl group of 1 to 3 carbon atoms; Y is -CO- or -SO2- provided that at least one of R1 and R2 is not hydrogen when Y is -CO-; and n is an integer of 2 to 4. An acid addition salt of the phenylpiperazine derivative having the general formula [I] is included in the present invention. The phenylpiperazine derivative as well as its acid addition salt according to the present invention have the ability to reduce the blood pressure.

  根据本发明，一种苯基哌嗪衍生物具有如下通式[I]： 其中 R1、R2 和 R3 独立地为氢或具有 1 至 3 个碳原子的烷氧基，或 R1 和 R2 或 R2 和 R3 与它们所连接的碳原子一起形成 -O(CH2)mO- 其中 m 是 1 至 3 的整数，或 R1 或 R2 是选自-NH2、-NHSO2CH3、-NHCOCH3 和-NHCONH2 的胺残基，另一个是氢或 1 至 3 个碳原子的烷氧基，R3 是氢； R4 和 R5 独立地为氢或 1 至 3 个碳原子的烷基； Y 是-CO-或-SO2-，条件是当 Y 是-CO-时，R1 和 R2 中至少有一个不是氢；以及 n 是 2 至 4 的整数。 本发明包括具有通式[I]的苯基哌嗪衍生物的酸加成盐。根据本发明的苯基哌嗪衍生物及其酸加成盐具有降低血压的能力。
• Novel phenylpiperazine derivatives and process for producing the same
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP0089065B1

  公开（公告）日：1987-06-16
• MCNALLY, JAMES J.;PRESS, JEFFREY B., J. ORG. CHEM., 56,(1991) N, C. 245-251
  作者：MCNALLY, JAMES J.、PRESS, JEFFREY B.

  DOI：——

  日期：——
• MIDZUNO, JOSIYUKI;TAKAGI, MITIO;KUBODEHRA, NOBARU;MATSUNAGA, KO;NABATA, X+
  作者：MIDZUNO, JOSIYUKI、TAKAGI, MITIO、KUBODEHRA, NOBARU、MATSUNAGA, KO、NABATA, X+

  DOI：——

  日期：——