4-(4-(dimethylamino)-2,6-dimethylphenyl)butan-2-one | 57399-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-(dimethylamino)-2,6-dimethylphenyl)butan-2-one
• 英文别名: 4-(2,6-Dimethyl-4-dimethylaminophenyl)butan-2-on；4-[4-(Dimethylamino)-2,6-dimethylphenyl]butan-2-one
• CAS: 57399-43-6
• 化学式: C₁₄H₂₁NO
• 分子量: 219.327
• InChiKey: WOVKXCUHYMUOKV-UHFFFAOYSA-N

物化性质

• 沸点：
  349.5±37.0 °C(Predicted)
• 密度：
  0.983±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 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：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-(dimethylamino)-2,6-dimethylphenyl)butan-2-one 在 红铝 、 silver carbonate 作用下， 生成 trans-3,7-Dimethyl-9-(2,b-dimethyl-4-dimethyl-aminophenyl)-2,4,6-nonatriensaeuremethylester
  参考文献：
  名称：

  Dihydroretinoic acids and their derivatives. Synthesis and biological activity

  摘要：

  The syntheses of the ring and four side-chain dihydroretinoic acids and/or their esters, 3-7, are described. The syntheses of several other retinoids containing a substituted aromatic ring are also included. The biological activity of the compounds was evaluated in vivo in a chemically induced mouse skin papilloma test and in vitro in two vitamin A deficient assays. The activity observed for 1a, 1c, and 2a in the former test was partially retained in the dihydro derivatives 4b, 4c, and 6b. Similar results were found in the in vitro assays.

  DOI：

  10.1021/jm00217a011
• 作为产物：
  描述：

  4-(dimethylamino)-2,6-dimethylbenzaldehyde 在 镍 sodium hydroxide 、 氢气 作用下， 生成 4-(4-(dimethylamino)-2,6-dimethylphenyl)butan-2-one
  参考文献：
  名称：

  Dihydroretinoic acids and their derivatives. Synthesis and biological activity

  摘要：

  The syntheses of the ring and four side-chain dihydroretinoic acids and/or their esters, 3-7, are described. The syntheses of several other retinoids containing a substituted aromatic ring are also included. The biological activity of the compounds was evaluated in vivo in a chemically induced mouse skin papilloma test and in vitro in two vitamin A deficient assays. The activity observed for 1a, 1c, and 2a in the former test was partially retained in the dihydro derivatives 4b, 4c, and 6b. Similar results were found in the in vitro assays.

  DOI：

  10.1021/jm00217a011

文献信息

• B(C₆F₅)₃-Catalyzed Michael Reactions: Aromatic C–H as Nucleophiles
  作者：Wu Li、Thomas Werner

  DOI：10.1021/acs.orglett.7b00720

  日期：2017.5.19

  The Michael reaction is a widely used reaction for the C–C coupling of electron-poor olefins and C(sp3)–H pronucleophiles. Herein we report the Michael reaction between alkenes and aromatic as well as heteroaromatic compounds as aromatic C(sp2)–H nucleophiles under mild conditions. The reaction is catalyzed by readily available Lewis acidic B(C6F5)3 and proceeds with high regioselectivity for a wide

  迈克尔反应是贫电子烯烃与C（sp 3）-H前亲核试剂的C-C偶联反应中广泛使用的反应。在这里，我们报道了在温和条件下烯烃与芳香族以及杂芳香族化合物（如芳香族C（sp 2）–H亲核体）之间的迈克尔反应。该反应被易得的路易斯酸性B（C 6 F 5）3催化，并在较大的底物范围内以高区域选择性进行。
• US4132723A
  申请人：——

  公开号：US4132723A

  公开（公告）日：1979-01-02