3-methyl-4-(naphthalene-1-yl)butan-2-one | 1178702-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-methyl-4-(naphthalene-1-yl)butan-2-one
• 英文别名: 3-Methyl-4-naphthalen-1-ylbutan-2-one
• CAS: 1178702-64-1
• 化学式: C₁₅H₁₆O
• 分子量: 212.291
• InChiKey: WIZQMPQERLQAME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (naphthalen-1-yl)methyl 2-methyl-3-oxobutanoate 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以87%的产率得到3-methyl-4-(naphthalene-1-yl)butan-2-one
  参考文献：
  名称：

  Decarboxylative Benzylations of Alkynes and Ketones

  摘要：

  Benzyl esters of propiolic and beta-keto acids undergo catalytic decarboxylative coupling when treated with appropriate palladium catalysts. Such decarboxylative couplings allow the benzylation of alkynes without the use of strong bases and/or organometallics. This allows the synthesis of sensitive benzylic alkynes that are prone to undergo isomerizations under basic conditions. Additionally, decarboxylation facilitates the site-specific benzylation of diketones and ketoesters under mild, base-free conditions. Ultimately, the methodology described expands our ability to cross-couple medicinally relevant heterocycles.

  DOI：

  10.1021/ja1035557

文献信息

• 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS
  申请人：Pharmagene Laboratories Ltd

  公开号：EP1474140A1

  公开（公告）日：2004-11-10
• [EN] 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS<br/>[FR] 2-OXAZOLAMINES ET LEUR UTILISATION COMME ANTAGONISTES DU RECEPTEUR 5-HT2B
  申请人：PHARMAGENE LAB LTD

  公开号：WO2003068226A1

  公开（公告）日：2003-08-21

  The present invention relates to compounds of formula (I): wherein one of R1 and R4 is selected from the group consisting of H, and optionally substituted C1-6 alkyl, C3-7 cycloalkyl, C3-7 cycloalkyl-C1-4 alkyl, and phenyl-C1-4 alkyl; and the other of R1 and R4 is an optionally substituted C9-14 aryl group; R2 and R3 are either:(i) independently selected from H, R, R', SO2R, C(=O)R, (CH2)nNR5R6, where n is from 1 to 4 and R5 and R6 are independently selected from H and R, where R is optionally substituted C1-4 alkyl, and R' is optionally substituted phenyl-C1-4 alkyl, or (ii) together with the nitrogen atom to which they are attached, form an optionally substituted C5-7 heterocyclic group; and their use as pharmaceuticals, in particular for treating conditions alleviated by the antagonism of a 5-HT2B receptor.