ethyl 2-(4-benzylpiperazino)-4-chloropyrimidine-5-acetate | 104964-09-2

• 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: ethyl 2-(4-benzylpiperazino)-4-chloropyrimidine-5-acetate
• 英文别名: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloropyrimidin-5-yl]acetate
• CAS: 104964-09-2
• 化学式: C₁₉H₂₃ClN₄O₂
• 分子量: 374.87
• InChiKey: ZEPDLSSIZXLMDG-UHFFFAOYSA-N

物化性质

• 沸点：
  515.7±60.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-benzylpiperazino)-4-chloropyrimidine-5-acetate 、 乙胺 以 水 、 异丙醇 为溶剂， 以46%的产率得到2-(4-benzylpiperazino)-5,6-dihydro-7-ethyl-6-oxo(7H)pyrrolo[2,3-d]pyrimidine
  参考文献：
  名称：

  2-piperazinopyrimidine derivatives

  摘要：

  本发明涉及一种新型2-哌嗪基嘧啶衍生物，其表示为以下一般式[I]，可作为除草剂的活性成分。其中R.sup.1是氢原子或芳基烷基，Y是以下一般式[II]至[VII]所代表的基团之一。

  公开号：

  US04742165A1
• 作为产物：
  描述：

  ethyl 2-(4-benzylpiperazino)-4-hydroxypyrimidine-5-acetate 在 三乙胺 、 三氯氧磷 作用下， 以 水 、 甲苯 为溶剂， 以59%的产率得到ethyl 2-(4-benzylpiperazino)-4-chloropyrimidine-5-acetate
  参考文献：
  名称：

  Quinazoline compounds and antihypertensives

  摘要：

  本文揭示了一种抗高血压制剂，其包含一种新型喹唑啉衍生物作为活性成分，该衍生物由以下通用公式表示或其盐：其中R.sup.100表示氢原子或甲氧基，R.sup.200和R.sup.300分别表示氢原子或较低的烷氧基，R.sup.400为氢原子或氨基，l代表2或3，Het是特定的杂环基团。

  公开号：

  US04734418A1

文献信息

• Therapeutic agent for neurological diseases
  申请人：Mitsui Petrochemical Industries Ltd.

  公开号：US04959368A1

  公开（公告）日：1990-09-25

  A pharmaceutical composition comprising a pyrimidine represented by the following formula ##STR1## wherein R.sup.1 represents a hydrogen atom, an acyl group having 2 to 4 carbon atoms, an alkoxycarbonyl group having 2 to 5 carbon atoms, an alkoxycarbonylmethyl group having 3 to 5 carbon atoms, a 3,4-dimethoxybenzoyl group or a 3,4-methylenedioxybenzyl group, R.sup.2 represents a hydrogen atom, an amino group, a monoalkylamino group having 1 to 4 carbon atoms, an alkoxy group having 1 to 5 carbon atoms or an alkoxycarbonyl group having 2 to 4 carbon atoms, R.sup.3 represents a hydrogen atom, an alkoxycarbonyl group having 2 to 4 carbon atoms, a dialkylaminocarbonyl group having 1 to 9 carbon atoms in each alkyl moiety, an alkoxy group having 1 to 5 carbon atoms, or a hydroxyethyl group, R.sup.2 and R.sup.3, together with the carbon atoms to which they are bonded, may form a 5- to 7-membered carbocyclic ring or a heterocyclic ring having N, O or S as the hetero atom, and R.sup.4 represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, or an alkylthio group having 1 to 4 carbon atoms, or a pharmaceutically acceptable salt thereof. The above active compound has activities of promoting growth of nerve cells, forming neurites, and restoring motor functions, and is useful as an agent for treating diseases of peripheral and central nerves.

  一种制药组合物，包括以下式表示的嘧啶 ##STR1## 其中 R.sup.1代表氢原子、具有2至4个碳原子的酰基、具有2至5个碳原子的烷氧羰基、具有3至5个碳原子的烷氧羰甲基基团、3,4-二甲氧基苯甲酰基团或3,4-亚甲二氧基苯甲基团，R.sup.2代表氢原子、氨基、具有1至4个碳原子的单烷基氨基、具有1至5个碳原子的烷氧基或具有2至4个碳原子的烷氧羰基，R.sup.3代表氢原子、具有2至4个碳原子的烷氧羰基、每个烷基部分具有1至9个碳原子的二烷基氨基羰基、具有1至5个碳原子的烷氧基或羟乙基基团，R.sup.2和R.sup.3以及它们结合的碳原子可能形成一个含有N、O或S作为杂原子的5至7成员碳环或杂环，R.sup.4代表氢原子、具有1至4个碳原子的烷基或具有1至4个碳原子的烷硫基，或其药用可接受盐。上述活性化合物具有促进神经细胞生长、形成神经突起和恢复运动功能的活性，并可用作治疗外周和中枢神经疾病的药物。
• 2-piperazinopyrimidine derivatives
  申请人：Mitsui Petrochemical Industries, Ltd.

  公开号：US04742165A1

  公开（公告）日：1988-05-03

  The present invention relates to novel 2-piperazinopyrimidine derivatives represented by the following general formula [I] which are useful as, for example, an active ingredient of herbicides ##STR1## wherein R.sup.1 is a hydrogen atom or an aralkyl group and Y is one of the groups represented by the following general formulas [II] to [VII] ##STR2## (wherein a and b are positions to be bound to positions 4 and 5 of the pyrimidine ring of the formula [I], respectively; l.sub.1 and l.sub.2 each are an integer of 2 to 4; l.sub.3 is 2 or 0; l.sub.4 is 0 or 1, provided that l.sub.4 is 0 when l.sub.3 is 2 and l.sub.4 is 1 when l.sub.3 is 0; l.sub.5 is 2 or 3; l.sub.6 is 1 or 2; l.sub.7 is 2 or 3; R.sup.2 is a hydroxyl group or a toluenesulfonyloxy group; and R.sup.3, R.sup.4, R.sup.5, R.sup.6 and R.sup.7 each are a hydrogen atom or a lower alkyl group).

  本发明涉及一种新型2-哌嗪基嘧啶衍生物，其表示为以下一般式[I]，可作为除草剂的活性成分。其中R.sup.1是氢原子或芳基烷基，Y是以下一般式[II]至[VII]所代表的基团之一。
• Quinazoline derivatives and antihypertensive preparations containing same as effective components
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0188094A2

  公开（公告）日：1986-07-23

  Disclosed herein is an antihypertensive preparation containing, as an active component, a novel quinazoline derivative represented by the following general formula or a saft thereof: wherein R100 means a hydrogen atom or methoxy group, R200 and R300 denote individually a hydrogen atom or lower alkoxy group, R400is a hydrogen atom or amino group, stands for 2 or 3, and Het is a specific hetero ring group.

  本发明公开了一种抗高血压制剂，其活性成分含有由以下通式代表的新型喹唑啉衍生物或其 翻版： 其中 R100 表示氢原子或甲氧基，R200 和 R300 分别表示氢原子或低级烷氧基，R400 是氢原子或氨基，代表 2 或 3，Het 是特定的杂环基团。
• AGENTS FOR TREATING NEUROPHATHY
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP0257102A1

  公开（公告）日：1988-03-02

  A medicinal composition comprising a pyrimidine compound represented by following general formula (I), wherein R' represents a hydrogen atom, an acyl group having 2 to 4 carbon atoms, an alkoxycarbonyl group having 2 to 5 carbon atoms, an alkoxycarbonylmethyl group having 3 to 5 carbon atoms a benzyl group, a 3,4-dimethoxybenzoyl group or a 3,4-methylenedioxybenzyl group; R2 represents a hydrogen atom, an amino group, a monoalkylamino group having 1 to 4 carbon atoms, an alkoxy group having 1 to 5 carbon atoms or an alkoxycarbonyl group having 2 to 4 carbon atoms; R3 represents a hydrogen atom, an alkoxycarbonyl group having 2 to 4 carbon atoms, a dialkylaminocarbonyl group having 1 to 9 carbon atoms in each alkyl moiety, an alkoxy group having 1 to 5 carbon atoms or a hydroxyethyl group, or R2 and R3 may be taken together to form a 4- to 7-membered carbocyclic or heterocyclic ring containing N, 0 or S as a hetero atom together with the carbon atom to which R2 and R3 ar bound: and R4 represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or an alkylthio group having 1 to 4 carbon atoms, or a pharmaceutically acceptable salt thereof is disclosed. These active compounds show activities of promoting growth of neural cells, forming neurites and restoring kinetic functions, thus being useful as agents for treating diseases of peripheral and central nerves.

  一种药物组合物，包含由以下通式(I)代表的嘧啶化合物，其中 R'代表氢原子、具有 2 至 4 个碳原子的酰基、具有 2 至 5 个碳原子的烷氧羰基、具有 3 至 5 个碳原子的烷氧羰甲基、苄基、3,4-二甲氧基苯甲酰基或 3,4-亚甲二氧基苄基；R2 代表氢原子、氨基、具有 1 至 4 个碳原子的单烷基氨基、具有 1 至 5 个碳原子的烷氧基或具有 2 至 4 个碳原子的烷氧羰基；R3 代表氢原子、具有 2 至 4 个碳原子的烷氧羰基、每个烷基中具有 1 至 9 个碳原子的二烷基氨基羰基、具有 1 至 5 个碳原子的烷氧基或羟乙基，或 R2 和 R3 可结合在一起形成 4 至 7 元碳环或杂环，其中 N、0 或 S 作为杂原子与 R2 和 R3 所结合的碳原子一起：和 R4 代表氢原子、1 至 4 个碳原子的烷基或 1 至 4 个碳原子的烷硫基，或其药学上可接受的盐。这些活性化合物具有促进神经细胞生长、形成神经元和恢复动力功能的活性，因此可作为治疗周围神经和中枢神经疾病的药物。
• 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0192783B1

  公开（公告）日：1991-04-17