2,2-dimethyl-N-[4-(methylthio)phenyl]propanamide | 198221-02-2

• 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: 2,2-dimethyl-N-[4-(methylthio)phenyl]propanamide
• 英文别名: N-(4-(methylthio)phenyl)pivalamide；N-pivaloyl-4-(methylthio)aniline；2,2-dimethyl-N-(4-methylsulfanylphenyl)propanamide
• CAS: 198221-02-2
• 化学式: C₁₂H₁₇NOS
• mdl: MFCD00095906
• 分子量: 223.339
• InChiKey: ARIRNKVWJRZHEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-N-[4-(methylthio)phenyl]propanamide 在 叔丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 2,2-dimethyl-N-(2-iodo-4-methylthiophenyl)propionamide
  参考文献：
  名称：

  Heterocyclic indole derivatives and mono- or diazaindole derivatives

  摘要：

  提供一种化合物，其一般式表示为（1）：其中Het代表可选择地取代的杂环基团；A1和A2各自独立地表示—CH═等；A3表示—CH2—等；R1表示4-氟苯基团等；R2表示烷基团；n表示0、1或2，但当A1和A2都为—CH═时，A3表示—CH2—或—SO2—，它是一种COX-2抑制活性的吲哟衍生物或单或二氮杂吲哟衍生物，可用作药物，如抗炎药物，或其与药用可接受的酸或碱形成的加合盐，或其水合物。

  公开号：

  US06673797B1
• 作为产物：
  描述：

  三甲基乙酰氯 、 4-氨基茴香硫醚 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以84%的产率得到2,2-dimethyl-N-[4-(methylthio)phenyl]propanamide
  参考文献：
  名称：

  N-（叔丁氧羰基）-和N-新戊酰基- （甲硫基）苯胺在金属化反应中的异常行为

  摘要：

  的金属化反应Ñ -Boc-和Ñ -Piv-（甲硫基）苯胺如下所述。结果表明，N -Boc衍生物仅被超碱金属化，得到在硫代甲基上取代的产物。N- Piv衍生物表现出不同的行为：邻位衍生物在硫代甲基碳原子上同时被丁基锂和超碱金属化，而对位衍生物在邻位被丁基锂和在超甲基上的硫代甲基碳原子上金属化至N- Piv基团。所述间-衍生物仅在硫代甲基碳原子上被超碱金属化。

  DOI：

  10.1016/s0040-4020(03)00347-8

文献信息

• Construction of CF₃-Containing Tetrahydropyrano[3,2-<i>b</i>]indoles through DMAP-Catalyzed [4+1]/[3+3] Domino Sequential Annulation
  作者：Yannan Zhu、You Huang

  DOI：10.1021/acs.orglett.0c02164

  日期：2020.9.4

  A [4+1]/[3+3] domino sequential annulation reaction of o-aminotrifluoroacetophenone derivatives and β′-acetoxy allenoates enabled by DMAP has been reported. A variety of CF3-containing tetrahydropyrano[3,2-b]indoles were obtained as a single diastereomer in high yields (≤98%) under mild conditions. The reaction can build one C–N bond, one C–C bond, and one C–O bond sequentially in a single step. The

  已经报道了通过DMAP实现的邻氨基三氟苯乙酮衍生物和β'-乙酰氧基烯丙酸酯的[4 + 1] / [3 + 3]多米诺顺序环化反应。在温和条件下以高收率（≤98％）获得了多种含CF 3的四氢吡喃并[3,2- b ]吲哚，为单一非对映异构体。该反应可在一个步骤中依次建立一个C–N键，一个C–C键和一个C–O键。合成效用通过克级反应和产物的各种转化得到证明。
• Ruthenium‐Catalyzed Vinylene Carbonate Annulation by C−H/N−H Functionalizations: Step‐Economical Access to Indoles
  作者：Yao Yu、Yang Wang、Bo Li、Yuqiang Tan、Huan Zhao、Zheyu Li、Chunran Zhang、Wenbo Ma

  DOI：10.1002/adsc.202101466

  日期：2022.2.15

  A convenient and effective method of ruthenium-catalyzed C−H/N−H annulations using vinylene carbonate as oxidizing acetylene surrogate has been disclosed. This method is scalable and compatible with a wide range of functional groups, providing a step-economical access to indole synthesis Preliminary mechanistic studies provided support for a reversible, acetate-assisted C−H ruthenation, along with

  已经公开了一种使用碳酸亚乙烯酯作为氧化乙炔替代物的钌催化 C-H/N-H 环化的方便有效的方法。该方法具有可扩展性并且与广泛的官能团兼容，为吲哚合成提供了一种经济的方法。初步机理研究为可逆的、乙酸盐辅助的 C-H 钌化以及随后的烯烃插入提供了支持。
• METHOD FOR PREPARING PROTON-CONDUCTING PARTICLES CAPABLE OF CATALYZING THE REDUCTION OF OXYGEN OR THE OXIDATION OF HYDROGEN BY GRAFTING PROTON-CONDUCTING POLYMERS TO THE SURFACE OF THE PARTICLES
  申请人：Commissariat a I'energie atomique et aux energies alternatives

  公开号：US20140309318A1

  公开（公告）日：2014-10-16

  The invention relates to a method for preparing particles comprising a material capable of catalyzing the reduction of oxygen or the oxidation of hydrogen, said particles being functionalized by polymers comprising at least one repeating unit bearing at least one proton-conducting group, and said particles being covalently bonded to a carbon material, said method comprising: a step a) of contacting particles, comprising a material capable of catalyzing the reduction of oxygen or the oxidation of hydrogen, with a polymer comprising at least one repeating unit bearing at least one proton-conducting group and comprising at least one portion corresponding to an organic radical of a compound that is an initiator for ATRP polymerization, said radical comprising at least one group capable of being grafted onto the surface of said particles, whereby particles, onto which polymers comprising at least one repeating unit bearing at least one proton-conducting group are grafted, are obtained.
• METHOD FOR PREPARING PROTON-CONDUCTING PARTICLES CAPABLE OF CATALYZING THE REDUCTION OF OXYGEN OR THE OXIDATION OF HYDROGEN
  申请人：Commissariat a l'energie atomique et aux energies alternatives

  公开号：US20140309386A1

  公开（公告）日：2014-10-16

  A method for preparing particles includes a material capable of catalyzing the reduction of oxygen or the oxidation of hydrogen, the particles being functionalized by polymers including at least one repeating unit bearing at least one proton-conducting group, and the particles being covalently bonded to a carbon material. The method includes the following consecutive steps: a) a step of contacting particles, comprising a material capable of catalyzing the reduction of oxygen or the oxidation of hydrogen, with a compound that is an initiator for ATRP polymerization, the compound comprising at least one group capable of being grafted onto the surface of the particles, whereby particles, onto which a radical of the initiator compound is grafted, are obtained; and b) a step of contacting the particles obtained in a) with at least one monomer having at least one proton-conducting group, whereby the polymerization of the monomer from the above-mentioned radicals occurs.
• US7244847B2
  申请人：——

  公开号：US7244847B2

  公开（公告）日：2007-07-17