N-but-3-ynyl-N,4-dimethylaniline | 1128054-32-9

• 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: N-but-3-ynyl-N,4-dimethylaniline
• CAS: 1128054-32-9
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: SHXASEOVKJXXBG-UHFFFAOYSA-N

物化性质

• 沸点：
  279.5±23.0 °C(predicted)
• 密度：
  0.978±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-but-3-ynyl-N,4-dimethylaniline 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Gold or No Gold: One-Pot Synthesis of Tetrahydrobenz[b]azepin-4-ones from Tertiary N-(But-3-ynyl)anilines

  摘要：

  Depending on the tertiary aniline substrates, an efficient, one-pot synthesis of tetrahydrobenz[b]azepin-4-ones needs either gold catalysts or no catalyst at all. In the reaction, the aniline nitrogen plays a unique role in relaying "O" from m-CPBA to a tethered C-C triple bond, which is inert to the oxidant under the mild reaction conditions.

  DOI：

  10.1021/ol900027h
• 作为产物：
  描述：

  4-碘-1-丁炔 、 N-甲基-对甲基苯胺 在 potassium carbonate 作用下， 反应 4.0h， 生成 N-but-3-ynyl-N,4-dimethylaniline
  参考文献：
  名称：

  Gold or No Gold: One-Pot Synthesis of Tetrahydrobenz[b]azepin-4-ones from Tertiary N-(But-3-ynyl)anilines

  摘要：

  Depending on the tertiary aniline substrates, an efficient, one-pot synthesis of tetrahydrobenz[b]azepin-4-ones needs either gold catalysts or no catalyst at all. In the reaction, the aniline nitrogen plays a unique role in relaying "O" from m-CPBA to a tethered C-C triple bond, which is inert to the oxidant under the mild reaction conditions.

  DOI：

  10.1021/ol900027h

文献信息

• Fluorogenic/Fluorescent Probes Derivative from Sulfoxanthene, and Use Thereof
  申请人：bioMérieux

  公开号：US20160146814A1

  公开（公告）日：2016-05-26

  The invention relates to fluorescent/fluorogenic probes of formula (I″) or (II″): wherein Z is chosen between: —NH 2 and —OH, or in the fluorescence quencher group consisting of: —NO 2 ; —N═N—R 1 ; R 1 being any organic group that does not obscure the corresponding azo bond; —NHCO-Pept.; Pept. being a peptide residue or any organic group that does not obscure the corresponding amide bond; —O-Glyc.; Glyc. being a oligoglycoside residue that does not obscure the corresponding glycosidic bond; —O—C(O)—R 2 ; —O—P(O)(OR 2 )(OR 2 ′) and —O—S(O) 2 —R 2 ; R 2 and R 2 ′ being independently a hydrogen atom or an organic group that does not obscure the corresponding ester bond; and R a , R b , R c , R d and R e being independently a hydrogen atom or any organic group that does not obscure the corresponding arylether bond so as not to prevent its possible cleavage by a myeloperoxidase activity. It also relates to the use of these fluorescent/fluorogenic probes, for the detection of an enzyme activity, notably in order to identify/discriminate microorganisms in function of their ability to express particular enzyme activities.

  该发明涉及式(I″)或(II″)的荧光/荧光探针： 其中Z在以下选项中选择：—NH2和—OH，或者在荧光猝灭剂基团中选择：—NO2；—N═N—R1；其中R1是任何不遮挡相应偶氮键的有机基团；—NHCO-Pept.；Pept.是肽残基或任何不遮挡相应酰胺键的有机基团；—O-Glyc.；Glyc.是不遮挡相应糖苷键的寡糖苷残基；—O—C(O)—R2；—O—P(O)(OR2)(OR2′)和—O—S(O)2—R2；其中R2和R2′独立地是氢原子或不遮挡相应酯键的有机基团；以及Ra、Rb、Rc、Rd和Re独立地是氢原子或任何不遮挡相应芳基醚键的有机基团，以便不阻止其可能被髓过氧化酶活性水解。 该发明还涉及这些荧光/荧光探针的用途，用于检测酶活性，特别是为了根据微生物表达特定酶活性的能力来识别/区分微生物。
• Electrochemical synthesis of α-amino amides <i>via</i> C(sp³)–H bond activation
  作者：Zhipeng Guan、Yanan Peng、Dongfeng Yang、Shuxiang Zhu、Heng Zhang、Aiwen Lei

  DOI：10.1039/d2gc00530a

  日期：——

  reaction for the synthesis of α-amino amides via C(sp3)–H bond activation. The active intermediate generated by the difunctionalization of isocyanide undergoes intermolecular rearrangement rather than the easier intramolecular rearrangement. This may be caused by a six-member ring transition state. In addition, under metal-free and external oxidant-free conditions, large-scale synthesis and good functional

  多组分反应为合成化学领域中构建各种高价值分子提供了一种快速有效的工具。在此，我们报道了一种通过C(sp 3 )-H 键活化合成 α-氨基酰胺的新型电化学氧化四组分反应。通过异氰化物的双官能化产生的活性中间体经历分子间重排而不是更容易的分子内重排。这可能是由六元环过渡态引起的。此外，在无金属和无外部氧化剂条件下，大规模合成和良好的官能团耐受性表明该方法具有潜在的适用性。
• US9528990B2
  申请人：——

  公开号：US9528990B2

  公开（公告）日：2016-12-27
• Gold or No Gold: One-Pot Synthesis of Tetrahydrobenz[<i>b</i>]azepin-4-ones from Tertiary <i>N</i>-(But-3-ynyl)anilines
  作者：Li Cui、Guozhu Zhang、Yu Peng、Liming Zhang

  DOI：10.1021/ol900027h

  日期：2009.3.19

  Depending on the tertiary aniline substrates, an efficient, one-pot synthesis of tetrahydrobenz[b]azepin-4-ones needs either gold catalysts or no catalyst at all. In the reaction, the aniline nitrogen plays a unique role in relaying "O" from m-CPBA to a tethered C-C triple bond, which is inert to the oxidant under the mild reaction conditions.