4,6-dimethyl-2-pyrimidinylmethyl methyl ketone | 70379-69-0

• 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-dimethyl-2-pyrimidinylmethyl methyl ketone
• 英文别名: 1-(4,6-dimethyl-pyrimidin-2-yl)-propan-2-one；2-Acetonyl-4,6-dimethyl-pyrimidin；1-(4,6-Dimethylpyrimidin-2-yl)propan-2-one
• CAS: 70379-69-0
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: AMGQPPPERFNNMO-UHFFFAOYSA-N

物化性质

• 沸点：
  91-93 °C(Press: 3 Torr)
• 密度：
  1.060±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  dimethyloxosulfonium 4,6-dimethyl-2-pyrimidinylmethylide 在 deactivated Raney nickel 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 1.5h， 生成 4,6-dimethyl-2-pyrimidinylmethyl methyl ketone
  参考文献：
  名称：

  Yamanaka, Hiroshi; Konno, Shoetsu; Sakamoto, Takao, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 10, p. 2837 - 2843

  摘要：

  DOI：

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。
• Konno, Shoetsu; Yokoyama, Masaaki; Kaite, Akiko, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 1, p. 152 - 157
  作者：Konno, Shoetsu、Yokoyama, Masaaki、Kaite, Akiko、Yamatsuta, Ikuko、Ogawa, Shigeru、et. al.

  DOI：——

  日期：——
• 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
• YAMANAKA, HIROSHI;KONNO, SHOETSU;SAKAMOTO, TAKAO;NIITSUMA, SETSUKO;NOJI, +, CHEM. AND PHARM. BULL., 1981, 29, N 10, 2837-2843
  作者：YAMANAKA, HIROSHI、KONNO, SHOETSU、SAKAMOTO, TAKAO、NIITSUMA, SETSUKO、NOJI, +

  DOI：——

  日期：——