5-bromo-2-methylthio-4-phenylpyrimidine | 123061-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-bromo-2-methylthio-4-phenylpyrimidine
• 英文别名: 5-Bromo-2-methylsulfanyl-4-phenylpyrimidine
• CAS: 123061-61-0
• 化学式: C₁₁H₉BrN₂S
• 分子量: 281.176
• InChiKey: ZPZMHEVQAYDZBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  碘苯 、 5-bromo-2-methylthio-4-tri-n-butylstannylpyrimidine 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 以55%的产率得到5-bromo-2-methylthio-4-phenylpyrimidine
  参考文献：
  名称：

  嘧啶中的锡烷基化反应和交叉偶联

  摘要：

  嘧啶已通过相应的car☐yyl有机锡酯的热去甲酰基化反应而在活化的4-位上被甲锡烷基化。十烷基化可通过双（乙腈）二氯化钯（II）催化。4- Iodopyrimidines要么4- stannylated通过取代反应与三Ñ -butyltin -铜或通过偶联用六甲基或六正丁基二锡和Pd（II）催化的反应。甲锡基嘧啶通过Pd（II）催化的交叉偶联形成叔碳新的碳-碳键，叔丁基二甲基甲硅烷基-，二甲基甲氧基甲硅烷基-和叔丁基二苯基甲硅烷基-氧甲基（tri- n已经合成了丁基丁基锡，并将其用于Pd（II）催化的与4-氯嘧啶的交叉偶联反应中。在含水介质中暴露于氟离子的过程中，未除去硅烷基，但很容易被THF中的氟离子除去，从而得到4-羟甲基嘧啶。

  DOI：

  10.1016/0040-4020(89)80011-0

文献信息

• MAJEED, AMERA J.;ANTONSEN, ZHIAMETRYVIND;BENNECHE, TORE;UNDNEIM, KJELL, TETRAHEDRON, 45,(1989) N, C. 993-1006
  作者：MAJEED, AMERA J.、ANTONSEN, ZHIAMETRYVIND、BENNECHE, TORE、UNDNEIM, KJELL

  DOI：——

  日期：——
• N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20160362409A1

  公开（公告）日：2016-12-15

  The present invention relates to compounds of formula I: wherein R 1 , R 2 , R 3 and R 4 are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1—also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.
• N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS
  申请人：Cancer Research Technology Limited

  公开号：US20180194761A1

  公开（公告）日：2018-07-12

  The present invention relates to compounds of formula I: wherein R 1 , R 2 , R 3 and R 4 are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1—also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.
• US9902721B2
  申请人：——

  公开号：US9902721B2

  公开（公告）日：2018-02-27

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