tert-butyl 2-isopropylphenylcarbamate

• 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: tert-butyl 2-isopropylphenylcarbamate
• 英文别名: tert-butyl N-(2-isopropylphenyl)carbamate；Tert-butyl (2-isopropylphenyl)carbamate；tert-butyl N-(2-propan-2-ylphenyl)carbamate
• 化学式: C₁₄H₂₁NO₂
• 分子量: 235.326
• InChiKey: ADEKCADSDDETBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 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：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-isopropylphenylcarbamate 在 甲醇 、 草酰氯 作用下， 反应 2.0h， 以70%的产率得到2-异丙基苯胺
  参考文献：
  名称：

  使用草酰氯对 N-叔丁氧羰基 (N-Boc) 基团进行温和脱保护

  摘要：

  我们报告了一种温和的方法，通过在甲醇中使用草酰氯，从结构多样的一组化合物（包括脂肪族、芳香族和杂环底物）中选择性脱保护N -Boc 基团。反应在室温条件下进行 1-4 小时，产率高达 90%。这种温和的程序应用于一种混合的药用活性化合物 FC1，它是一种新型的 IDO1 和 DNA Pol γ 双重抑制剂。对于这种去保护策略，假设了涉及草酰氯的亲电特性的更广泛的机制。

  DOI：

  10.1039/d0ra04110f
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 2-异丙基苯胺 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 tert-butyl 2-isopropylphenylcarbamate
  参考文献：
  名称：

  N-炔丙基苯胺和邻炔基苯酚与钯（II）-双异恶唑啉催化剂的环化-羰基化-环化偶联反应

  摘要：

  摘要 （盒）Pd（II）配合物催化的N-炔丙基苯胺和邻炔基苯酚的环化-羰基化-环化偶联反应（CCC偶联反应）得到对称的双（喹啉-3-基）和双（苯并呋喃-3-基）酮，分别以中等至优异的产率。 （盒）Pd（II）配合物催化的N-炔丙基苯胺和邻炔基苯酚的环化-羰基化-环化偶联反应（CCC偶联反应）得到对称的双（喹啉-3-基）和双（苯并呋喃-3-基）酮，分别以中等至优异的产率。

  DOI：

  10.1055/s-0031-1290805

文献信息

• Studying competitive lithiations at alpha-, ortho-, and benzylic positions in various N-protected aniline derivatives
  作者：Martin Schmid、Birgit Waldner、Michael Schnürch、Marko D. Mihovilovic、Peter Stanetty

  DOI：10.1016/j.tet.2011.02.056

  日期：2011.4

  The directing effects of the t-BuOCONH– (NHBoc) and the t-BuCONH– (NH–pivaloyl) groups have been investigated on a series of differently substituted anilines. Depending on the nature of the directing group and the substrate, lithiation either occurred in the ortho-, benzylic-, or alpha-position. In general, it was observed that ortho-lithiation is the least facile process and alpha-lithiation slightly

  所述的定位效应吨-BuOCONH-（NHBoc基）和吨-BuCONH-（NH新戊酰）基团已被研究了一系列不同取代的苯胺。取决于定向基团和底物的性质，锂化要么发生在邻位-，苄基或α-位。通常，观察到邻位锂化是最不容易的过程，与苄基位置的锂化相比，α-锂化略受青睐。然而，发现起始材料的微小变化导致在金属化过程中不同的区域选择性。例如，将取代基从甲基改变为乙基可导致完全不同的区域选择性。作为最后的结论，提出了锂化实验的图形指南。
• PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT
  申请人：Babaoglu Kerim

  公开号：US20120003215A1

  公开（公告）日：2012-01-05

  The invention provides compounds of Formula I or Formula II: or a pharmaceutically acceptable salt or ester, thereof, as described herein. The compounds and compositions thereof are useful for treating Pneumovirinae virus infections. The compounds, compositions, and methods provided are particularly useful for the treatment of Human respiratory syncytial virus infections.

  本发明提供了公式I或公式II的化合物：或其药学上可接受的盐或酯，如本文所述。这些化合物及其组合物对于治疗Pneumovirinae病毒感染非常有用。提供的化合物，组合物和方法特别适用于治疗人类呼吸道合胞病毒感染。
• The scope and limitations of deuteration mediated by Crabtree's catalyst
  作者：George J Ellames、Jennifer S Gibson、John M Herbert、Alan H McNeill

  DOI：10.1016/s0040-4020(01)00945-0

  日期：2001.11

  Exchange of protons for deuterons mediated by Crabtree's catalyst, 1, is directed efficiently by a functional group containing an sp(2)-hybridised nitrogen or oxygen atom; more electron-rich substrates are, in general, deuterated more efficiently. The electronic effects of substituents in the arene ring are critical only where the directing group is poor, in which case exchange is generally promoted by electron donating substituents, but the exchange is impeded by bulky meta-substituents. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Modulation of Bacterial Quorum Sensing with Synthetic Ligands
  申请人：Blackwell Helen E.

  公开号：US20080312319A1

  公开（公告）日：2008-12-18

  The present invention provides compounds and methods for modulation of the quorum sensing of bacteria. In an embodiment, the compounds of the present invention are able to act as replacements for naturally occurring bacterial quorum sensing ligands in a ligand-protein binding system; that is, they imitate the effect of natural ligands and produce an agonistic effect. In another embodiment, the compounds of the present invention are able to act in a manner which disturbs or inhibits the naturally occurring ligand-protein binding system in quorum sensing bacteria; that is, they produce an antagonistic effect. The compounds of the present invention comprise N-acylated-homoserine lactones (AHLs) comprised of a wide range of acyl groups.
• Modulation of Bacterial Quorum Sensing With Synthetic Ligands
  申请人：Blackwell Helen E.

  公开号：US20110212860A1

  公开（公告）日：2011-09-01

  The present invention provides compounds and methods for modulation of the quorum sensing of bacteria. In an embodiment, the compounds of the present invention are able to act as replacements for naturally occurring bacterial quorum sensing ligands in a ligand-protein binding system; that is, they imitate the effect of natural ligands and produce an agonistic effect. In another embodiment, the compounds of the present invention are able to act in a manner which disturbs or inhibits the naturally occurring ligand-protein binding system in quorum sensing bacteria; that is, they produce an antagonistic effect. The compounds of the present invention comprise N-acylated-homoserine lactones (AHLs) comprised of a wide range of acyl groups.