4,6-Dichlor-2-propyl-pyrimidin | 1197-28-0

• 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: 4,6-Dichlor-2-propyl-pyrimidin
• 英文别名: 4,6-Dichloro-2-propylpyrimidine
• CAS: 1197-28-0
• 化学式: C₇H₈Cl₂N₂
• 分子量: 191.06
• InChiKey: AYIVVSYNNZZADH-UHFFFAOYSA-N

物化性质

• 沸点：
  244.6±20.0 °C(Predicted)
• 密度：
  1.2435 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,6-Dichlor-2-propyl-pyrimidin 在 氨 、 水 作用下， 生成 2-propyl-pyrimidine-4,6-diyldiamine
  参考文献：
  名称：

  Researches on Pyrimidines. Certain Derivatives of 2-Propylpyrimidine¹

  摘要：

  DOI：

  10.1021/ja01566a053
• 作为产物：
  描述：

  6-羟基-2-丙基-4(1H)-嘧啶酮 在 三氯氧磷 作用下， 反应 48.0h， 以77%的产率得到4,6-Dichlor-2-propyl-pyrimidin
  参考文献：
  名称：

  2-取代的6-羟基-[3H]-嘧啶-4-酮和4,6-二氯嘧啶的“绿色”合成：改进的策略和机理研究*

  摘要：

  一种改进的路线2-取代的6-羟基- [3 H ^ ] -嘧啶-4-酮4和2-取代的4,6-二氯嘧啶5报道。不使用剧毒反应物，就可以方便地在一锅合成中以1摩尔规模制备化合物4，平均收率可达80％。通常使用少量原料制备的4,6-二氯嘧啶5的平均收率为80％，最多可使用80 g起始原料。4氯化的机理是第一次进行计算研究。结果表明，磷酰氯的氯化反应以交替的磷酸化-氯化方式（途径1）进行，这比以两次磷酸化开始的顺序更可取。本文所述的研究的4，6-二氯嘧啶与二氯磷酸形成强络合物，但与盐酸形成弱络合物（在后处理期间生成）。后面这些配合物解释了在后处理过程中使用碳酸钠水溶液的必要性。为了防止在中间体或最终的二氯嘧啶和未反应的羟基嘧啶之间形成嘧啶鎓盐，可以用强酸（例如二氯磷酸）使后者失活，从而进行氯化反应，但阻止形成盐。

  DOI：

  10.1071/ch14073

文献信息

• Synthesis of Diheteroarylamine Ligands by Palladium-Catalyzed Mono- and Diamination of Dichlorohetero­arenes with Heteroarenamines
  作者：Daniel Samson、Ewald Daltrozzo

  DOI：10.1002/hlca.201000148

  日期：2011.1

  syntheses of bidentate (see 6 and 12), bis‐bidentate (7, 10, and 13) up to oligo‐bidentate (see 11 and 14) diheteroarylamine‐based N,N‐ligands are reported (Tables 2, 4, and 5). In the course of investigations on heteroaromatic (CN)‐bond formations, a protocol for the Pd‐catalyzed mono‐ and diamination of 2,6‐dichloropyridine (1) and 4,6‐dichloropyrimidines 5 with heteroaren‐2‐amines 2 and pyrimidine‐4

  报道了基于二杂芳基胺的N，N-配体的双齿（见6和12），双双齿（7、10和13）到寡双齿（见11和14）的合成（表2，4和5）。在杂芳族调查过程（C  N） -键的地层，对于钯催化的单-和2,6-二氯吡啶（diamination的协议1）和4,6-二氯嘧啶5与heteroaren -2-胺2并开发了嘧啶-4,6-二胺8。结果应用于“五聚体”的合成图11A - 11D和“七聚体” 14基于4,6-二取代-2- alkylpyrimidines 5和8分别。
• Fluorine-free titanocenes and the use thereof
  申请人：Ciba-Geigy Corporation

  公开号：US05340701A1

  公开（公告）日：1994-08-23

  Fluorine-free titanocene compounds of the formula I or II ##STR1## in which both R.sub.1 radicals are preferably, independently of one another, cyclopentadienyl.sup..crclbar., which is unsubstituted or substituted by alkyl,alkoxy or --Si(R.sub.2).sub.3, and both R.sub.2 radicals are, in particular, alkyl, ##STR2## Z is --NR.sub.10 --, --0-- or --S--, Y is Cl, Br, I, CN, SCN, --O--CO--CH.sub.3, --O--CO--phenyl or --O--SO.sub.2 --CH.sub.3, n is 1 or 2, m is 0 or 1, where the sum of n and m must be 2, R.sub.3, R.sub.4 and R.sub.5 are in particular, independently of one another, hydrogen, Cl, alkyl, cycloalkyl, adamantyl, phenyl, pyrryl or biphenylyl, where these radicals are unsubstituted or substituted by alkyl, Cl, alkylthio, --NR.sub.8 R.sub.9, phenyl, phenylthio or C.sub.1 -C.sub.10 alkoxy, or R.sub.3, R.sub.4 and R.sub.5 are alkenyl, alkoxy, cycloalkoxy, phenoxy, benzyloxy, tetrahydrofurfuryloxy, alkylthio, cycloalkylthio, benzylthio or phenylthio, where R.sub.3 and R.sub.4 are not simultaneously hydrogen, and if Q is a pyrimidyl radical, at least one radical R.sub.3 or R.sub.4 is alkoxy, cycloalkoxy, phenoxy, benzyloxy, tetrahydrofurfuryloxy or alkenyloxy, and if Z is --NR.sub.10 --, R.sub.3 and R.sub.4 are Cl Br or I, both radicals R.sub.6, independently of one another, are alkyl or alkenyl or both radicals R.sub.6 together with the nitrogen atom to which they are bonded, form a morpholino radical, R.sub.7 is alkyl, cycloalkyl or phenyl, R.sub.8 is phenyl or .alpha.-tertiary C.sub.4 -C.sub.6 alkyl, R.sub.9 is, in particular, hydrogen, alkyl, cycloalkyl, phenyl or a ##STR3## radical, where, in addition, the two R.sub.9 radicals in --N(R.sub.9).sub.2 are identical or different and, together with the nitrogen atom to which they are bonded, may form a 5- or 6-membered heterocyclic ring which, in addition to the nitrogen atom, may also contain further nitrogen, oxygen or sulfur atoms, R.sub.10 is as defined for R.sub.9 or additionally, in particular, is phenyl which is unsubstituted or substituted by Cl, C.sub.1 -C.sub.12 alkyl, C.sub.1 -C.sub.10 alkoxy, C.sub.1 -C.sub.8 alkylthio, phenylthio, morpholino or --N(C.sub.1 -C.sub.4 alkyl).sub.2, X is --O--, --S--, ##STR4## methylene or ethylene, and A is C.sub.1 -C.sub.12 alkylene or --X--A--X-- is a direct bond, are suitable as photoinitiators for photopolymerisation of compounds containing ethylenically unsaturated double bonds.

  化学式为I或II的无氟二茂钛化合物 其中，两个R1基团最好是独立的环戊二烯基，可以未取代或被烷基，烷氧基或-Si（R2）3取代。两个R2基团特别是烷基，Z为-NR10-，-0-或-S-，Y为Cl，Br，I，CN，SCN，-O-CO-CH3，-O-CO-苯基或-O-SO2-CH3，n为1或2，m为0或1，其中n和m的和必须为2，R3，R4和R5特别是独立的氢，Cl，烷基，环烷基，金刚烷基，苯基，吡咯基或联苯基，这些基团未取代或被烷基，Cl，烷硫基，-NR8R9，苯基，苯硫基或C1-C10烷氧基取代，或R3，R4和R5是烯基，烷氧基，环烷氧基，苯氧基，苄氧基，四氢呋喃基氧基，烷硫基，环烷硫基，苄硫基或苯硫基，其中R3和R4不同时为氢，如果Q是嘧啶基团，则至少一个基团R3或R4是烷氧基，环烷氧基，苯氧基，苄氧基，四氢呋喃基氧基或烯氧基，如果Z为-NR10-，则R3和R4是Cl，Br或I，两个基团R6独立地是烷基或烯基，或两个基团R6连同它们所连接的氮原子形成吗啡基团，R7是烷基，环烷基或苯基，R8是苯基或α-三级C4-C6烷基，R9特别是氢，烷基，环烷基，苯基或##STR3##基团，此外，在--N（R9）2中，两个R9基团相同或不同，并且连同它们所连接的氮原子可以形成5-或6-成员的杂环环，除了氮原子外，还可以包含其他氮，氧或硫原子，R10如R9所定义，或者特别是未取代或被Cl，C1-C12烷基，C1-C10烷氧基，C1-C8烷硫基，苯基硫基，吗啡基或-N（C1-C4烷基）2取代的苯基，X为-O-，-S-，##STR4##亚甲基或乙烯基，A为C1-C12烷基或--X--A--X--为直接键，适用于具有乙烯基不饱和双键的化合物的光聚合引发剂。
• Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds
  申请人：Meguro Masaki

  公开号：US20050054732A1

  公开（公告）日：2005-03-10

  The present invention relates to preventives or remedies for Alzheimer's disease, or to amyloid protein fibril-formation inhibitors, which include as an active ingredient a compound of general formula (I) below or a pharmacologically permitted salt thereof; and also to nitrogen-containing heteroaryl derivatives having specific substituents, or pharmacologically permitted salts thereof, which are valuable as preventives or remedies for Alzheimer's disease, or as amyloid protein fibril-formation inhibitors: (where, R 1 and R 2 are H or alkyl; Z 1 and Z 2 are H, alkyl, alkoxy, haloalkyl or halogeno; Z 3 is alkoxy, SH, alkylthio, NH 2 , mono- or di-alkylamino, OH or halogeno; Z 4 and Z 5 are H or halogeno; and A is 4,6-pyrimidine-1,3-diyl, 1,3,5-triazine-2,6-diyl, etc).

  本发明涉及预防或治疗阿尔茨海默病的药物或药物，或β淀粉样蛋白纤维形成抑制剂，其中包括通式（I）下的化合物或其药学上允许的盐作为活性成分；还涉及具有特定取代基的含氮杂环衍生物或其药学上允许的盐，其作为防治阿尔茨海默病的药物或β淀粉样蛋白纤维形成抑制剂具有价值：（其中，R1和R2是H或烷基；Z1和Z2是H，烷基，烷氧基，卤代烷基或卤素基；Z3是烷氧基，SH，烷硫基，NH2，单或双烷基氨基，OH或卤素基；Z4和Z5是H或卤素基；A是4,6-嘧啶-1,3-二基，1,3,5-三嗪-2,6-二基等）。
• Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound
  申请人：Meguro Masaki

  公开号：US20080182846A1

  公开（公告）日：2008-07-31

  The present invention relates to preventives or remedies for Alzheimer's disease, or to amyloid protein fibril-formation inhibitors, which include as an active ingredient a compound of general formula (I) below or a pharmacologically permitted salt thereof; and also to nitrogen-containing heteroaryl derivatives having specific substituents, or pharmacologically permitted salts thereof, which are valuable as preventives or remedies for Alzheimer's disease, or as amyloid protein fibril-formation inhibitors: (where, R 1 and R 2 are H or alkyl; Z 1 and Z 2 are H, alkyl, alkoxy, haloalkyl or halogeno; Z 3 is alkoxy, SH, alkylthio, NH 2 , mono- or di-alkylamino, OH or halogeno; Z 4 and Z 5 are H or halogeno; and A is 4,6-pyrimidine-1,3-diyl, 1,3,5-triazine-2,6-diyl, etc).

  本发明涉及用于预防或治疗阿尔茨海默病的药物或疗法，或者用于抑制淀粉样蛋白纤维形成的药物，其中包括通式（I）所示的化合物或其药学上允许的盐作为活性成分；以及具有特定取代基的含氮杂环衍生物或其药学上允许的盐，它们对于预防或治疗阿尔茨海默病或作为淀粉样蛋白纤维形成抑制剂非常有价值。（其中，R1和R2为H或烷基；Z1和Z2为H、烷基、烷氧基、卤代烷基或卤素；Z3为烷氧基、SH、烷基硫醇、NH2、单烷基或二烷基氨基、OH或卤素；Z4和Z5为H或卤素；A为4,6-嘧啶-1,3-二基、1,3,5-三嗪-2,6-二基等）。
• Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound
  申请人：Meguro Masaki

  公开号：US20090286794A1

  公开（公告）日：2009-11-19

  The present invention relates to preventives or remedies for Alzheimer's disease, or to amyloid protein fibril-formation inhibitors, which include as an active ingredient a compound of general formula (I) below or a pharmacologically permitted salt thereof; and also to nitrogen-containing heteroaryl derivatives having specific substituents, or pharmacologically permitted salts thereof, which are valuable as preventives or remedies for Alzheimer's disease, or as amyloid protein fibril-formation inhibitors: (where, R 1 and R 2 are H or alkyl; Z 1 and Z 2 are H, alkyl, alkoxy, haloalkyl or halogeno; Z 3 is alkoxy, SH, alkylthio, NH 2 , mono- or di-alkylamino, OH or halogeno; Z 4 and Z 5 are H or halogeno; and A is 4,6-pyrimidine-1,3-diyl, 1,3,5-triazine-2,6-diyl, etc).

  本发明涉及用于防治阿尔茨海默病的预防剂或治疗剂，或淀粉样蛋白纤维形成抑制剂，其包括以下通式（I）的化合物或其药理学许可盐作为活性成分；以及具有特定取代基的含氮杂芳基衍生物，或其药理学许可盐，它们作为防治阿尔茨海默病的预防剂或治疗剂，或淀粉样蛋白纤维形成抑制剂具有重要价值：（其中，R1和R2为H或烷基；Z1和Z2为H、烷基、烷氧基、卤代烷基或卤素；Z3为烷氧基、SH、烷硫基、NH2、单烷基或二烷基氨基、OH或卤素；Z4和Z5为H或卤素；A为4,6-嘧啶-1,3-二基、1,3,5-三嗪-2,6-二基等）。