2-phenyl-3-hydroxy-7-mercapto-pyrazolo [4,3-d]pyrimidine | 100565-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-phenyl-3-hydroxy-7-mercapto-pyrazolo [4,3-d]pyrimidine
• CAS: 100565-62-6
• 化学式: C₁₁H₈N₄OS
• 分子量: 244.277
• InChiKey: ZSULJOPIZHDLHN-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  483.4±55.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.83
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-phenyl-3-hydroxy-7-mercapto-pyrazolo [4,3-d]pyrimidine 生成 2-Phenyl-3-hydroxy-7-(1-ethoxycarbonyl-1-methylethylthio)-pyrazolo[4,3-d]pyrimidine
  参考文献：
  名称：

  FUJIKAWA, YOSHIHIRO;SUZUKI, MIKIO;SAKASHITA, MITSUAKI;TSURUZOE, NOBUTOMO;+

  摘要：

  DOI：

文献信息

• Pyrazolo[4,3-d]pyrimidine derivative, process for its production,
  申请人：Nissan Chemical Industries Ltd.

  公开号：US04654348A1

  公开（公告）日：1987-03-31

  A pyrazolo[4,3-d]pyrimidine derivative having the formula: ##STR1## wherein R.sup.1 is lower alkyl or phenyl, R.sup.2 is --A--CO.sub.2 R.sup.21 (wherein A is alkylene having from 1 to 10 carbon atoms which is unsubstituted or substituted by alkyl having from 1 to 3 carbon atoms; and R.sup.21 is lower alkyl having from 1 to 4 carbon atoms), --CH.sub.2 CO-phenyl, a saturated or unsaturated, straight chain or branched aliphatic group having from 3 to 16 carbon atoms, phenyl-lower alkyl, --CH.sub.2 CN, chloro substituted phenyl-lower alkyl or ##STR2## (wherein R.sup.22 is hydrogen or lower alkyl), and R.sup.3 is a saturated or unsaturated, straight chain or branched aliphatic group having from 2 to 22 carbon atoms, phenyl-lower alkyl, benzyloxy substituted phenyl-lower alkyl, lower alkyl substituted or unsubstituted 2-(phenylmethyloxy)ethyl, cyclohexylcyclohexyl, methylcyclohexyl, 3-thia-n-heptyl, 3,6-dioxa-n-decyl, 4-oxo-n-pentyl or 2-hydroxyethyl. Intermediates and processes of making the compounds of formula I are also disclosed. The compounds of formula I are useful as antihyperlipidemic agents.

  一种具有以下结构的吡唑并[4,3-d]嘧啶衍生物：##STR1##其中R.sup.1是较低的烷基或苯基，R.sup.2是--A--CO.sub.2R.sup.21（其中A是具有1至10个碳原子的未取代或取代的烷基，取代基为具有1至3个碳原子的烷基；R.sup.21是具有1至4个碳原子的较低烷基），--CH.sub.2CO-苯基，具有3至16个碳原子的饱和或不饱和、直链或支链脂肪族基团，苯基-较低烷基，--CH.sub.2CN，氯取代的苯基-较低烷基或##STR2##（其中R.sup.22是氢或较低烷基），R.sup.3是具有2至22个碳原子的饱和或不饱和、直链或支链脂肪族基团，苯基-较低烷基，苄氧基取代的苯基-较低烷基，取代或未取代的2-(苯基甲氧基)乙基，环己基环己基，甲基环己基，3-硫代-n-庚基，3,6-二氧-n-癸基，4-氧代-n-戊基或2-羟乙基。还公开了制备式I化合物的中间体和工艺。式I化合物可用作抗高脂血症药物。
• Pyrazolo[4,3-d] pyrimidine derivative process for its production antihyperlipidemic agent containing it, its intermediate, and process for the production of the intermediate
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0157415A2

  公开（公告）日：1985-10-09

  A pyrazolo[4,3-d]pyrimidine derivative having the formula: wherein R1 is lower alkyl, phenyl or substituted phenyl, R2 is -A-CO2R21 (wherein A is alkylene having from 1 to 3 carbon atoms which is unsubstituted or substituted by methyl, and R21 is lower alkyl having from 1 to 4 carbon atoms), -CH2CO-phenyl, a saturated or unsaturated, straight chain or branched aliphatic group having from 3 to 16 carbon atoms, phenyl-lower alkyl, -CH2CN, substituted phenyl-lower alkyl, cyclohexylcyclohexyl, methylcyclohexyl, 4-thia-n-heptyl, 3,6-dioxa-n-octyl, 4-oxo-n-pentyl or (wherein R22 is hydrogen or lower alkyl), and R3 is a saturated or unsaturated, straight chain or branched aliphatic group having from 2 to 22 carbon atoms, phenyl-lower alkyl, substituted phenyl-lower alkyl, substituted or unsubstituted phenyl-methyloxyethyl or 2-hydroxyethyl.

  一种吡唑并[4,3-d]嘧啶衍生物，其式如下 其中 R1 是低级烷基、苯基或取代苯基，R2 是-A-CO2R21（其中 A 是具有 1 至 3 个碳原子的亚烷基，未被取代或被甲基取代，R21 是具有 1 至 4 个碳原子的低级烷基），-CH2CO-苯基、具有 3 至 16 个碳原子的饱和或不饱和、直链或支链脂肪族基团、苯基低级烷基、-CH2CN、取代苯基低级烷基、环己基环己基、甲基环己基、4-硫杂-n-庚基、3,6-二氧杂-n-辛基、4-氧代-n-戊基，或 (其中 R22 为氢或低级烷基），R3 为具有 2 至 22 个碳原子的饱和或不饱和、直链或支链脂族基团、苯基-低级烷基、取代的苯基-低级烷基、取代或未取代的苯基-甲基羟乙基或 2-羟乙基。
• Pyrazolopyrimidines, intermediates thereof and processes for the preparation of them
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0234514A2

  公开（公告）日：1987-09-02

  Disclosed is a process for preparing a 3-hydroxy-7-­mercaptopyrazolo[4,3-d]pyrimidine compound represented by the general formula (IX): wherein R¹ is a hydrogen atom, an alkyl group having l to 4 carbon atoms, a phenyl group or a substituted phenyl group, which comprises:     from a pyrazole compound represented by the general formula (III): wherein R¹ is the same as defined above. Also disclosed are pyrazole compounds represented by the general formula (I): wherein:     R¹ is a hydrogen atom, an alkyl group having l to 4 carbon atom, a phenyl group or a substituted phenyl group:     X is a nitroso group, an amino group or (R²)₂NCH=N- ­(wherein R² is an alkyl group having l to 3 carbon atoms): and     Y is -C(O)NH₂ when R¹ is an alkyl group having l to 4 carbon atoms, a phenyl group or a substituted phenyl group and X is a nitroso group, or -C(O)NH₂ when R¹ is a hydrogen atom, an alkyl group having l to 4 carbon atoms, a phenyl group or a substituted phenyl group and X is an amino group, or CN or -C(S)NH₂ when R¹ is a hydrogen atom, an alkyl group having l to 4 carbon atoms, a phenyl group or a substituted phenyl group and X is (R²)₂NCH=N- (wherein R² is the same as defined above. The compounds serve as intermediate for preparing the compound of the formula (IX).

  本发明公开了一种制备通式(IX)代表的 3-羟基-7-巯基吡唑并[4,3-d]嘧啶化合物的工艺： 其中 R¹ 是氢原子、具有 l 至 4 个碳原子的烷基、苯基或取代的苯基，其包括 由通式（III）代表的吡唑化合物： 其中 R¹ 与上述定义相同。 还公开了通式（I）所代表的吡唑化合物： 其中 R¹ 是氢原子、具有 l 至 4 个碳原子的烷基、苯基或取代苯基： X 是亚硝基、氨基或 (R²)₂NCH=N-（其中 R² 是具有 l 至 3 个碳原子的烷基）：以及 当 R¹ 为具有 l 至 4 个碳原子的烷基、苯基或取代苯基且 X 为亚硝基时，Y 为-C(O)NH₂；或当 R¹ 为氢原子、具有 l 至 4 个碳原子的烷基、苯基或取代苯基且 X 为亚硝基时，Y 为-C(O)NH₂、当 R¹ 为氢原子、l 至 4 个碳原子的烷基、苯基或取代苯基且 X 为 (R²)₂NCH=N- 时，则为 CN 或 -C(S)NH₂（其中 R² 与上述定义相同）。这些化合物可作为制备式（IX）化合物的中间体。
• US4654348A
  申请人：——

  公开号：US4654348A

  公开（公告）日：1987-03-31
• US4841068A
  申请人：——

  公开号：US4841068A

  公开（公告）日：1989-06-20