methyl 6-methyl-2-phenyl-4-pyrimidinyl ketone | 64571-45-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 6-methyl-2-phenyl-4-pyrimidinyl ketone
• 英文别名: 4-acetyl-6-methyl-2-phenylpyrimidine；1-(6-methyl-2-phenyl-pyrimidin-4-yl)-ethanone；1-(6-Methyl-2-phenylpyrimidin-4-yl)ethanone
• CAS: 64571-45-5
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: VPTLLXBZIPAFDQ-UHFFFAOYSA-N

物化性质

• 熔点：
  82-83 °C
• 沸点：
  274.6±33.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 6-methyl-2-phenyl-4-pyrimidinyl ketone 生成 4-[(6-methyl-2-phenyl-pyrimidin-4-yl)-acetyl]-morpholine
  参考文献：
  名称：

  SAKAMOTO T.; KONNO S.; YAMANAKA H., HETEROCYCLES, 1977, 6, NO 9-10,

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methyl-2-phenylpyrimidine 、 丙酮酸 在 ammonium peroxydisulfate 、 硫酸 、 silver nitrate 作用下， 以 水 为溶剂， 反应 1.5h， 以64%的产率得到methyl 6-methyl-2-phenyl-4-pyrimidinyl ketone
  参考文献：
  名称：

  Sakamoto, Takao; Ono, Takayasu; Sakasai, Takeji, Chemical and pharmaceutical bulletin, 1980, vol. 28, # 1, p. 202 - 207

  摘要：

  DOI：

文献信息

• Bicyclic-substituted amines having cyclic-substituted monocyclic substituents
  申请人：Altenbach J. Robert

  公开号：US20050272728A1

  公开（公告）日：2005-12-08

  Compounds of formula (I) wherein R 1 or R 2 is an aromatic or non-aromatic ring directly joined or joined by a linker, as represented by L 2 and L 3 , to a heteroaromatic core, and X, X′, Y, Y′, Z, Z′, R 1 , R 2 , R 3 , R 3a , R 3b , R 4 , R 5 , L, L 2 , and L 3 are as defined herein, are useful in treating conditions or disorders prevented by or ameliorated by histamine-3 receptor ligands. Also disclosed are pharmaceutical compositions comprising the histamine-3 receptor ligands, methods for using such compounds and compositions, and a process for preparing compounds within the scope of formula (I).

  式（I）的化合物，其中R1或R2是直接连接或通过连接物连接的芳香或非芳香环，如由L2和L3表示，连接到杂环核心，以及X、X'、Y、Y'、Z、Z'、R1、R2、R3、R3a、R3b、R4、R5、L、L2和L3如本文所定义，可用于治疗由组胺-3受体配体预防或改善的病症或疾病。还公开了包含组胺-3受体配体的药物组合物，使用这类化合物和组合物的方法，以及制备符合式（I）范围内化合物的方法。
• Studies on pyrimidine derivatives. XXV. Reaction of pyrimidinyl aldehydes and ketones with wittig reagents.
  作者：TAKAO SAKAMOTO、KENICHI TANJI、HIROSHI YAMANAKA

  DOI：10.1248/cpb.30.610

  日期：——

  The reaction of 2-and 4-pyrimidinecarbaldehydes with reagents such as ethoxycarbonyl-(1) and benzoyl-(triphenylphosphino) methanide (2) gave pyrimidines with an α, β-unsaturated carbonyl group. The reagents (1, 2) reacted with 2- and 4-acetylpyrimidines to give similar products, as expected. 4-(1-Chloroethyl) pyrimidines did not react with triphenylphosphine, though chloro-methylpyrimidines are know to give Wittig reagents.

  2-和4-吡啶羧醛与如乙氧基碳酰基-(1)和苯甲酰-(三苯基膦)甲烷化物(2)等试剂的反应生成了带有α, β-不饱和羰基的吡啶。试剂(1, 2)与2-和4-乙酰吡啶反应，得到了类似的产物，正如预期的那样。虽然已知氯代甲基吡啶能生成Wittig试剂，但4-(1-氯乙基)吡啶与三苯基膦没有反应。
• [EN] BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS<br/>[FR] AMINES À SUBSTITUTION BICYCLIQUE AYANT DES SUBSTITUANTS MONOCYCLIQUES À SUBSTITUTION CYCLIQUE
  申请人：ABBOTT LAB

  公开号：WO2005113551A1

  公开（公告）日：2005-12-01

  Compounds of formula (I) wherein R1 or R2 is an aromatic or non-aromatic ring directly joined or joined by a linker, as represented by L2 and L3, to a heteroaromatic core, and X, X', Y, Y', Z, Z', R1, R2, R3, R3a, R3b, R4, R5, L, L2, and L3 are as defined herein, are useful in treating conditions or disorders prevented by or ameliorated by histamine-3 receptor ligands. Also disclosed are pharmaceutical compositions comprising the histamine-3 receptor ligands, methods for using such compounds and compositions, and a process for preparing compounds within the scope of formula (I).

  公式（I）的化合物中，其中R1或R2是芳香或非芳香环，直接连接或通过连接剂L2和L3连接到杂环芳香核心，而X，X'，Y，Y'，Z，Z'，R1，R2，R3，R3a，R3b，R4，R5，L，L2和L3如本文所定义，可用于治疗由组胺-3受体配体预防或改善的疾病或症状。还公开了包含组胺-3受体配体的制药组合物，使用这些化合物和组合物的方法，以及制备公式（I）范围内的化合物的方法。
• Sakamoto,T. et al., Heterocycles, 1977, vol. 6, p. 1616 - 1621
  作者：Sakamoto,T. et al.

  DOI：——

  日期：——
• SAKAMOTO TAKAO; ONO TAKAYASU; SAKASAI TAKEJI; YAMANAKA HIROSHI, CHEM. AND PHARM. BULL., 1980, 28, NO 1, 202-207
  作者：SAKAMOTO TAKAO、 ONO TAKAYASU、 SAKASAI TAKEJI、 YAMANAKA HIROSHI

  DOI：——

  日期：——