2-acetonyl-4,6-dimethoxy-5-methylpyrimidine | 118966-79-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-acetonyl-4,6-dimethoxy-5-methylpyrimidine
• 英文别名: 5-methyl-4,6-dimethoxy-2-acetonylpyrimidine；1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)propan-2-one
• CAS: 118966-79-3
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: DUBOUABSSXXGHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-acetonyl-4,6-dimethoxy-5-methylpyrimidine 、 尿素 、 邻硝基苯甲醛 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以45%的产率得到
  参考文献：
  名称：

  4-Aryl-5-(pyrimidin-2?-yl)-1,4-dihydropyridines,-1,4-di- and -1,2,3,4-tetrahydropyrimidines

  摘要：

  DOI：

  10.1007/bf01169842
• 作为产物：
  描述：

  potassium;1-(4,6-dimethoxy-5-nitro-2H-pyrimidin-5-id-2-yl)propan-2-one 在 氢氧化钾 、 苄基三乙基氯化铵 作用下， 以 甲醇 、 苯 为溶剂， 生成 2-acetonyl-4,6-dimethoxy-5-methylpyrimidine
  参考文献：
  名称：

  Alkylation of the 2H-5-nitro-2-acetonyl-4,6-dimethoxypyrimidine anion

  摘要：

  DOI：

  10.1007/bf00478871

文献信息

• Process for production of substituted aniline compound
  申请人：——

  公开号：US20040034251A1

  公开（公告）日：2004-02-19

  The present invention provides a process for producing a substituted aniline compound represented by the following general formula (6): 1 (in the formula, R 1 , R 2 and R 3 are each independently an alkyl group, an alkoxy group, an alkoxyalkyl group, a haloalkyl group, a carboxyl group, an alkoxycarbonyl group, an alkyl-carboxamide group, a nitro group, an aryl group, an arylalkyl group, an aryloxy group, a halogen atom or a hydrogen atom; and X and Y are each independently a hydrogen atom, an alkyl group, an alkoxy group, an alkoxyalkyl group, a haloalkyl group, a carboxyl group, an alkoxycarbonyl group or a halogen atom), characterized by oxidizing a substituted indole compound represented by the following general formula (3): 2 (in the formula, R 1 , R 2 , R 3 , X and Y have the same definitions as given above) to give rise to the ring opening of indole ring to produce an acetanilide compound represented by the following general formula (4): 3 (in the formula, R 1 , R 2 , R 3 , X and Y have the same definitions as given above; and Ac is an acetyl group) and subjecting this compound to reduction and deacetylation, advantageously in industry.

  本发明提供了一种生产下列通式（6）所代表的取代苯胺化合物的方法：1（在该式中，R1、R2和R3各自独立地表示烷基、烷氧基、烷氧基烷基、卤代烷基、羧基、烷氧羰基、烷基-羧酰胺基、硝基、芳基、芳基烷基、芳氧基、卤素原子或氢原子；X和Y各自独立地表示氢原子、烷基、烷氧基、烷氧基烷基、卤代烷基、羧基、烷氧羰基或卤素原子），其特征在于将下列通式（3）所代表的取代吲哚化合物氧化，使吲哚环开环，产生下列通式（4）所代表的乙酰苯胺化合物：3（在该式中，R1、R2、R3、X和Y具有上述给定的相同定义；Ac是乙酰基），并在工业上有优势地将该化合物进行还原和脱乙酰化。
• Process for producing substituted aniline compound
  申请人：Hiyoshi Hidetaka

  公开号：US20070213532A1

  公开（公告）日：2007-09-13

  The present invention provides a process for producing a substituted aniline compound represented by the following general formula (6): (in the formula, R 1 , R 2 and R 3 are each independently an alkyl group, an alkoxy group, an alkoxyalkyl group, a haloalkyl group, a carboxyl group, an alkoxycarbonyl group, an alkyl-carboxamide group, a nitro group, an aryl group, an arylalkyl group, an aryloxy group, a halogen atom or a hydrogen atom; and X and Y are each independently a hydrogen atom, an alkyl group, an alkoxy group, an alkoxyalkyl group, a haloalkyl group, a carboxyl group, an alkoxycarbonyl group or a halogen atom), characterized by oxidizing a substituted indole compound represented by the following general formula (3): (in the formula, R 1 , R 2 , R 3 , X and Y have the same definitions as given above) to give rise to the ring opening of indole ring to produce an acetanilide compound represented by the following general formula (4): (in the formula, R 1 , R 2 , R 3 , X and Y have the same definitions as given above; and Ac is an acetyl group) and subjecting this compound to reduction and deacetylation, advantageously in industry.

  本发明提供了一种用于制备以下通式（6）所表示的取代苯胺化合物的方法：（式中，R1、R2和R3各自独立地表示烷基、烷氧基、烷氧基烷基、卤代烷基、羧基、烷氧羰基、烷基-羧酰胺基、硝基、芳基、芳基烷基、芳氧基、卤素原子或氢原子；X和Y各自独立地表示氢原子、烷基、烷氧基、烷氧基烷基、卤代烷基、羧基、烷氧羰基或卤素原子），其特征在于将以下通式（3）所表示的取代吲哚化合物氧化，使吲哚环开环，产生以下通式（4）所表示的乙酰苯胺化合物：（式中，R1、R2、R3、X和Y的定义与上述相同；Ac是乙酰基），并在工业上进行还原和脱乙酰化。
• PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1334968B1

  公开（公告）日：2012-01-11
• REMENNIKOV, G. YA.;VISHNEVSKIJ, S. G., YKP. XIM. ZH., 57,(1991) N, S. 82-85
  作者：REMENNIKOV, G. YA.、VISHNEVSKIJ, S. G.

  DOI：——

  日期：——
• REMENNIKOV, G. YA.;CHERKASOV, V. M.;PIROZHENKO, V. V., XIMIYA GETEROTSIKL. SOED.,(1988) N 4, 562
  作者：REMENNIKOV, G. YA.、CHERKASOV, V. M.、PIROZHENKO, V. V.

  DOI：——

  日期：——