1-(2-dimethylaminophenyl)-propan-1-one | 156054-88-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-dimethylaminophenyl)-propan-1-one
• 英文别名: 1-(2-dimethylamino-phenyl)-propan-1-one；1-(2-Dimethylamino-phenyl)-propan-1-on；2-dimethylaminopropiophenone；Dimethylaminopropiophenon；1-[2-(dimethylamino)phenyl]propan-1-one
• CAS: 156054-88-5
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: WBMFRABHVKNXKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-羟基香豆素 、 1-(2-dimethylaminophenyl)-propan-1-one 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 4-hydroxy-3-(3-oxo-3-phenylpropyl)coumarin
  参考文献：
  名称：

  Coumarin derivatives as protease inhibitors and antiviral agents

  摘要：

  本发明涉及新型香豆素衍生物和相关化合物，能有效抑制HIV天冬氨酸蛋白酶，阻断HIV的传染性。这些香豆素衍生物在开发治疗病毒感染和疾病，包括艾滋病的疗法方面具有用处。本发明还涉及多官能香豆素及相关结构的合成方法。

  公开号：

  US05510375A1
• 作为产物：
  描述：

  2-(N,N-二甲氨基)苯甲醛 在 zinc(II) iodide 、 lithium diisopropyl amide 作用下， 反应 5.0h， 生成 1-(2-dimethylaminophenyl)-propan-1-one
  参考文献：
  名称：

  Synthesis of Isobenzofuran Derivatives as heterocyclic analogues of the herbicidesindone B

  摘要：

  The target compounds 21-27 were synthesized via bromination of the N,N,1,1-tetramethylisobenzofuranamines 13, 15 and 16, subsequent bromine-lithium exchange and reaction with propanal or propanoyl chloride, respectively. In the course of some model reactions undertaken to test a synthetic strategy based on directed ortho-lithiation governed by the dimethylamino-group a useful synthesis of the ketone 3 was developed.

  DOI：

  10.1002/prac.19943360411

文献信息

• [EN] 3-ARYLOXY-3-ARYLPROPYLAMINE SYNTHESIS<br/>[FR] SYNTHÈSE DE 3-ARYLOXY-3-ARYLPROPYLAMINE
  申请人：REDDYS LAB LTD DR

  公开号：WO2006009884A1

  公开（公告）日：2006-01-26

  A process for preparing a 3-aryloxy-3-arylpropylamine comprises reacting a 3-hydroxy-3-arylpropylamine with a substituted aryl compound, in a solvent comprising N-N-dimethylacetamide or hexamethylphosphorous triamide.

  制备3-芳氧基-3-芳基丙胺的过程包括在溶剂中反应3-羟基-3-芳基丙胺和取代芳基化合物，所述溶剂包括N- N-二甲基乙酰胺或六甲基膦三胺。
• Aminoketone asymmetric reductase and nucleic acid thereof
  申请人：——

  公开号：US20040247583A1

  公开（公告）日：2004-12-09

  A protein, which is an aminoketone asymmetric reductase, having an effect of producing d-pseudoephedrine by acting on l-2-methylaminopropiophenone, and having the following physiochemical properties: substrate: l-2-methylaminopropiophenone optimum pH: pH 8.1 optimum temperature: 55° C. coenzyme: NADP molecular weight: about 28500 Da homotetramer and a nucleic acid coding the protein.

  一种蛋白质，是一种氨基酮不对称还原酶，通过作用于l-2-甲基氨基丙酮产生d-伪麻黄碱，具有以下物理化学性质：底物：l-2-甲基氨基丙酮；最适pH：pH 8.1；最适温度：55°C；辅酶：NADP；分子量：约28500 Da的同源四聚体；以及编码该蛋白质的核酸。
• AMINOKETONE ASYMMETRIC REDUCTASE AND NUCLEIC ACID THEREOF
  申请人：Daiichi Fine Chemical Co., Ltd.

  公开号：EP1371731A1

  公开（公告）日：2003-12-17

  A protein, which is an aminoketone asymmetric reductase, having an effect of producing d-pseudoephedrine by acting on l-2-methylaminopropiophenone, and having the following physiochemical properties: substrate: l-2-methylaminopropiophenone optimum pH: pH 8.1 optimum temperature: 55°C coenzyme: NADP molecular weight: about 28500 Da homotetramer and a nucleic acid coding the protein.

  一种蛋白质，它是一种氨基酮不对称还原酶，具有通过作用于 l-2-甲氨基苯丙酮而产生 d-伪麻黄碱的作用，并具有以下理化特性： 底物：l-2-甲氨基苯丙酮 最适 pH 值：pH 8.1 最适温度：55°C 辅酶：NADP 分子量：约 28500 Da 均四聚体和编码该蛋白质的核酸： 辅酶：NADP 分子量：约 28500 Da 同源四聚体和编码该蛋白质的核酸。
• NOVEL PLASMIDS AND UTILIZATION THEREOF
  申请人：Daiichi Fine Chemical Co., Ltd.

  公开号：EP1688491A1

  公开（公告）日：2006-08-09

  A shuttle vector is constructed by preparing a DNA region replicable in bacteria belonging to the genus Rhodococcus from a Rhodococcus-derived plasmid having the nucleotide sequence set forth as SEQ ID NO: 73 and a plasmid or its DNA fragment having the nucleotide sequence set forth as SEQ ID NO: 74, and a DNA region replicable in E. coli from an E. coli-derived plasmid or its DNA fragment. An aminoketone asymmetric reductase gene is inserted into the shuttle vector, transformants containing the vector are created, and the aminoketone asymmetric reductase and optically active aminoalcohols are produced.

  通过从具有 SEQ ID NO: 73 所列核苷酸序列的 Rhodococcus 衍生质粒和具有 SEQ ID NO: 74 所列核苷酸序列的质粒或其 DNA 片段中制备可在 Rhodococcus 属细菌中复制的 DNA 区域，以及从大肠杆菌衍生质粒或其 DNA 片段中制备可在大肠杆菌中复制的 DNA 区域，构建穿梭载体。将氨基酮不对称还原酶基因插入穿梭载体，产生含有该载体的转化体，并生产出氨基酮不对称还原酶和光学活性氨基醇。
• Haddow et al., Philosophical Transactions of the Royal Society of London, 1948, vol. <A> 241, p. 147,188
  作者：Haddow et al.

  DOI：——

  日期：——