4,5-dibromo-2-iso-propyl-3(2H)pyridazinone | 104566-47-4

• 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: 4,5-dibromo-2-iso-propyl-3(2H)pyridazinone
• 英文别名: 2-i-propyl-4,5-dibromo-3(2H)pyridazinone；4,5-dibromo-2-propan-2-ylpyridazin-3-one
• CAS: 104566-47-4
• 化学式: C₇H₈Br₂N₂O
• 分子量: 295.961
• InChiKey: FCVZSCKKXWVHEU-UHFFFAOYSA-N

物化性质

• 沸点：
  264.5±50.0 °C(Predicted)
• 密度：
  1.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-dibromo-2-iso-propyl-3(2H)pyridazinone 在 氢氧化钾 、 sodium methylate 作用下， 反应 15.0h， 生成 5-Bromo-1-isopropyl-6-hydroxypyridazin-6-one
  参考文献：
  名称：

  4,5-二卤代哒嗪-6-酮的同时烷基化-甲氧基化和5-卤代-4-羟基哒嗪-6-酮的合成

  摘要：

  通过同时进行的烷基化-甲氧基化反应，由1-烷基-4,5-二卤代哒嗪-6-酮合成了1-烷基-5-卤代-4-甲氧基哒嗪-6-酮。还制备了1-烷基-5-卤代-4-羟基哒嗪-6-。

  DOI：

  10.1002/jhet.5570330605
• 作为产物：
  描述：

  4,5-二溴哒嗪-3-酮 、 2-溴丙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4,5-dibromo-2-iso-propyl-3(2H)pyridazinone
  参考文献：
  名称：

  4,5-二卤代哒嗪-6-酮的同时烷基化-甲氧基化和5-卤代-4-羟基哒嗪-6-酮的合成

  摘要：

  通过同时进行的烷基化-甲氧基化反应，由1-烷基-4,5-二卤代哒嗪-6-酮合成了1-烷基-5-卤代-4-甲氧基哒嗪-6-酮。还制备了1-烷基-5-卤代-4-羟基哒嗪-6-。

  DOI：

  10.1002/jhet.5570330605

文献信息

• 3(2H)pyridazinone, process for its preparation and anti-allergic agent
  申请人：Nissan Chemical Industries Ltd.

  公开号：US05098900A1

  公开（公告）日：1992-03-24

  A 3(2H)pyridazinone of the formula: ##STR1## wherein R.sub.1 is C.sub.2 -C.sub.5 alkyl; R.sub.2 is hydrogen, C.sub.1 -C.sub.3 alkyl, chlorine or bromine; R.sub.3 is hydrogen or C.sub.1 -C.sub.4 alkyl; and each of Y.sub.1, Y.sub.2 and Y.sub.3 which may be the same or different, is hydrogen, C.sub.1 -C.sub.8 alkyl, C.sub.2 -C.sub.8 alkenyl, halogen, --(CH.sub.2).sub.l A [wherein A is substituted amino of the formula --N(R.sub.4) (R.sub.5) (wherein each of R.sub.4 and R.sub.5 which may be the same or different, is C.sub.1 -C.sub.4 alkyl, or R.sub.4 and R.sub.5 together form C.sub.4 -C.sub.6 alkylene), morpholino, 4-R.sub.6 -piperazin-1-yl (wherein R.sub.6 is C.sub.1 -C.sub.3 alkyl) or --OR.sub.7 (wherein R.sub.7 is hydrogen or C.sub.1 -C.sub.3 alkyl), and l is an integer of 0 to 3], --OR.sub.8 [wherein R.sub.8 is hydrogen, C.sub.1 -C.sub.8 alkyl, C.sub.3 -C.sub.5 alkenyl, benzyl or --(CH.sub.2).sub.q --R.sub.9 [wherein R.sub.9 is CO.sub.2 R.sub.3 (wherein R.sub.3 is as defined above), --CONHR.sub.3 (wherein R.sub.3 is as defined above) or --CH.sub.2 OR.sub.7 (wherein R.sub.7 is as defined above), and q is an integer of 1 to 5]], --CO.sub.2 R.sub.3 (wherein R.sub.3 is as defined above), --CON(R.sub.10) (R.sub.11) [wherein each of R.sub.10 and R.sub.11 which may be the same or different, is hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.3 -C.sub.5 alkenyl, or R.sub.10 and R.sub.11 together form C.sub.4 -C.sub.6 alkylene, --(CH.sub.2).sub.2 O(CH.sub.2).sub.2 -- or --(CH.sub.2).sub.2 N(R.sub.6)(CH.sub.2).sub.2 -- (wherein R.sub.6 is as defined above)], --CONH(CH.sub.2).sub.m A (wherein A is as defined above, and m is an integer of 2 to 4), --CH.dbd.CHCOR.sub.12 (wherein R.sub.12 is hydroxy, C.sub.1 -C.sub.4 alkoxy or --N(R.sub.13) (CH.sub.2).sub.n CO.sub.2 R.sub.3 (wherein R.sub.13 is hydrogen, C.sub.1 -C.sub.6 alkyl or cycloalkyl, R.sub.3 is as defined above, and n is an integer of 1 to 4)), --SR.sub.14 (wherein R.sub.14 is C.sub.1 -C.sub.4 alkyl), --CN or ##STR2## wherein R.sub.3 is as defined above), or two of Y.sub.1, Y.sub.2 and Y.sub.3 together form ##STR3## (wherein p is an integer of 1 or 2), and a pharmaceutically acceptable salt thereof.

  一种具有以下结构式的3(2H)吡啶并嗪酮化合物：其中R.sub.1是C.sub.2 -C.sub.5烷基；R.sub.2是氢、C.sub.1 -C.sub.3烷基、氯或溴；R.sub.3是氢或C.sub.1 -C.sub.4烷基；以及Y.sub.1、Y.sub.2和Y.sub.3中的每一个（可以相同也可以不同）是氢、C.sub.1 -C.sub.8烷基、C.sub.2 -C.sub.8烯基、卤素、--(CH.sub.2).sub.l A（其中A是具有以下结构式的取代氨基：--N(R.sub.4)(R.sub.5)（其中R.sub.4和R.sub.5可以相同也可以不同，为C.sub.1 -C.sub.4烷基，或R.sub.4和R.sub.5一起形成C.sub.4 -C.sub.6烷基）、吗啉基、4-R.sub.6-哌嗪-1-基（其中R.sub.6为C.sub.1 -C.sub.3烷基）或--OR.sub.7（其中R.sub.7为氢或C.sub.1 -C.sub.3烷基），l为0到3的整数，--OR.sub.8（其中R.sub.8为氢、C.sub.1 -C.sub.8烷基、C.sub.3 -C.sub.5烯基、苄基或--(CH.sub.2).sub.q --R.sub.9（其中R.sub.9为CO.sub.2R.sub.3（其中R.sub.3如上定义）、--CONHR.sub.3（其中R.sub.3如上定义）或--CH.sub.2OR.sub.7（其中R.sub.7如上定义），q为1到5的整数）]，--CO.sub.2R.sub.3（其中R.sub.3如上定义），--CON(R.sub.10)(R.sub.11)（其中R.sub.10和R.sub.11可以相同也可以不同，为氢、C.sub.1 -C.sub.4烷基或C.sub.3 -C.sub.5烯基，或R.sub.10和R.sub.11一起形成C.sub.4 -C.sub.6烷基、--(CH.sub.2).sub.2O(CH.sub.2).sub.2--或--(CH.sub.2).sub.2N(R.sub.6)(CH.sub.2).sub.2--（其中R.sub.6如上定义），--CONH(CH.sub.2).sub.m A（其中A如上定义，m为2到4的整数），--CH.dbd.CHCOR.sub.12（其中R.sub.12为羟基、C.sub.1 -C.sub.4烷氧基或--N(R.sub.13)(CH.sub.2).sub.nCO.sub.2R.sub.3（其中R.sub.13为氢、C.sub.1 -C.sub.6烷基或环烷基，R.sub.3如上定义，n为1到4的整数），--SR.sub.14（其中R.sub.14为C.sub.1 -C.sub.4烷基），--CN或（其中R.sub.3如上定义），或Y.sub.1、Y.sub.2和Y.sub.3中的两个一起形成（其中p为1或2）的结构式，以及其药用盐。
• 3(2H)pyridazinones for antagonistic agent against srs-a
  申请人：Nissan Chemical Industries Ltd.

  公开号：US05011839A1

  公开（公告）日：1991-04-30

  A 3(2H)pyridazinone of the formula: ##STR1## wherein R.sub.1 is hydrogen, 2-propenyl, or straight chained or branched C.sub.1 -C.sub.4 alkyl; each of R.sub.2 and R.sub.3 which may be the same or different, is hydrogen, or straight chained or branched C.sub.1 -C.sub.3 alkyl; X is chlorine, or bromine; Y is hydrogen, halogen, nitro, amino, or --AR.sub.4 wherein A is oxygen, or sulfur, and R.sub.4 is hydroen, straight chained, branched or cyclic C.sub.1 -C.sub.8 alkyl, ##STR2## wherein R.sub.5 is hydrogen, or straight chained or branched C.sub.1 -C.sub.4 alkyl; and Ar is ##STR3## wherein each Z.sub.1 and Z.sub.2 which may be the same or different, is hydrogen, halogen, straight or branched C.sub.1 -C.sub.4 alkyl, or --OR.sub.6 wherein R.sub.6 is straight or branched C.sub.1 -C.sub.4 alkyl, and B is oxygen, sulfur, or --N.dbd.C-- (to form a quinoline or pyridine ring); or a pharamaceutically acceptable salt thereof.

  一种化学物质的化学式为：##STR1## 其中 R.sub.1 是氢、2-丙烯基或直链或支链的 C.sub.1 -C.sub.4 烷基；R.sub.2 和 R.sub.3 中的每一个可以相同也可以不同，是氢或直链或支链的 C.sub.1 -C.sub.3 烷基；X 是氯或溴；Y 是氢、卤素、硝基、氨基或--AR.sub.4，其中 A 是氧或硫，R.sub.4 是氢、直链、支链或环状的 C.sub.1 -C.sub.8 烷基，##STR2## 其中 R.sub.5 是氢或直链或支链的 C.sub.1 -C.sub.4 烷基；Ar 是 ##STR3## 其中每个 Z.sub.1 和 Z.sub.2 可以相同也可以不同，是氢、卤素、直链或支链的 C.sub.1 -C.sub.4 烷基，或--OR.sub.6，其中 R.sub.6 是直链或支链的 C.sub.1 -C.sub.4 烷基，B 是氧、硫或--N.dbd.C--（形成喹啉或吡啶环）；或其药用盐。
• 3(2H)pyridazinones, processes for their preparation and antagonistic agent against SRS-A
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0376079A1

  公开（公告）日：1990-07-04

  A 3(2H)pyridazinone of the formula: wherein R1 is hydrogen, 2-propenyl, or straight chained or branched C1-C4. alkyl; each of R2 and R3 which may be the same or different, is hydrogen, or straight chained or branched C1-C3 alkyl; X is chlorine, or bromine; Y is hydrogen, halogen, nitro, amino, or -AR4 wherein A is oxygen, or sulfur, and R4 is hydrogen, straight chained, branched or cyclic C, -Cs alkyl, or wherein R5 is hydrogen, or straight chained or branched C1-C4 alkyl; and Ar is wherein each of Z1 and Z2 which may be the same or different, is hydrogen, halogen, straight or branched C1-C4 alkyl, or -OR6 wherein R6 is straight or branched C1-C4 alkyl, and B is oxygen, sulfur, or -N=C- (to form a quinoline or pyridine ring); or a pharmaceutically acceptable salt thereof.

  一种 3(2H)哒嗪酮，其式如下 其中 R1 是氢、2-丙烯基、或直链或支链 C1-C4 烷基；R2 和 R3 可以相同或不同，各自是氢、或直链或支链 C1-C3 烷基；X 是氯、或溴；Y 是氢、卤素、硝基、氨基或 -AR4 其中 A 是氧或硫，R4 是氢、直链、支链或环状 C、-Cs 烷基，或 其中 R5 是氢、直链或支链 C1-C4 烷基；Ar 是 其中 Z1 和 Z2 可以相同或不同，各自为氢、卤素、直链或支链 C1-C4 烷基，或 -OR6 其中 R6 为直链或支链 C1-C4 烷基，而 B 为氧、硫或 -N=C- （形成喹啉环或吡啶环）；或其药学上可接受的盐。
• 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0186817B1

  公开（公告）日：1989-08-02
• Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors
  申请人：Moore Joel D.

  公开号：US20090035272A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds of Formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof, which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising a compound of the present invention.