methyl 3-(3-bromo-4-((tert-butyldimethylsilyl)oxy)phenyl)propanoate | 590417-57-5

• 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: methyl 3-(3-bromo-4-((tert-butyldimethylsilyl)oxy)phenyl)propanoate
• 英文别名: methyl 3-(3-bromo-4-tert-butyldimethylsilyloxyphenyl)propionate；Methyl 3-(3-bromo-4-t-butyldimethylsilyloxyphenyl)propionate；methyl 3-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate
• CAS: 590417-57-5
• 化学式: C₁₆H₂₅BrO₃Si
• 分子量: 373.362
• InChiKey: CJEJFFYGBVRTOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-(3-bromo-4-((tert-butyldimethylsilyl)oxy)phenyl)propanoate 在 potassium phosphate 、 lithium aluminium tetrahydride 、 四(三苯基膦)钯 、 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醚 、 水 、 甲苯 为溶剂， 生成 tert-butyl (3-(3-cyclopropyl-4-hydroxyphenyl)propyl)(tosyloxy)carbamate
  参考文献：
  名称：

  Transition Metal Free C–N Bond Forming Dearomatizations and Aryl C–H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent

  摘要：

  We outline a simple protocol that accesses directly unprotected secondary amines by intramolecular C-N bond forming dearomatization or aryl C-H amination. The method is dependent on the generation of a potent electrophilic aminating agent released by in situ deprotection of O-Ts activated N-Boc hydroxylamines.

  DOI：

  10.1021/jacs.7b07830
• 作为产物：
  描述：

  对羟基苯丙酸甲酯 在 咪唑 、 溴 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 3-(3-bromo-4-((tert-butyldimethylsilyl)oxy)phenyl)propanoate
  参考文献：
  名称：

  Transition Metal Free C–N Bond Forming Dearomatizations and Aryl C–H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent

  摘要：

  We outline a simple protocol that accesses directly unprotected secondary amines by intramolecular C-N bond forming dearomatization or aryl C-H amination. The method is dependent on the generation of a potent electrophilic aminating agent released by in situ deprotection of O-Ts activated N-Boc hydroxylamines.

  DOI：

  10.1021/jacs.7b07830

文献信息

• Substituted arylalkanoic acid derivatives and use thereof
  申请人：Shoda Motoshi

  公开号：US20070213333A1

  公开（公告）日：2007-09-13

  A compound represented by the formula (I): [In the formula, Link represents a saturated or unsaturated straight hydrocarbon chain having 1 to 3 carbon atoms, C 2 to C 6 in the aromatic ring (E) independently represent a ring-constituting carbon atom, one of the ring-constituting carbon atoms may be replaced with V, V represents nitrogen atom, or carbon atom substituted with Zx, Zx represents a saturated alkyl group having 1 to 4 carbon atoms and the like, Rs represents -D-Rx etc., D represents a single bond, oxygen atom and the like, Rx represents a saturated alkyl group having 3 to 8 carbon atoms and the like, AR represents a partially unsaturated or completely unsaturated condensed bicyclic carbon ring or a heterocyclic ring, and Y represents hydrogen atom, a lower alkyl group having 1 to 4 carbon atoms and the like] or a salt thereof. A compound having prostaglandin production-suppressing action and leukotriene production-suppressing action is provided.

  化合物的化学式为（I）：[在公式中，Link代表饱和或不饱和的直链碳氢链，其具有1至3个碳原子，C2至C6在芳环（E）中独立地表示构成环的碳原子，构成环的碳原子中的一个可以被V取代，V代表氮原子，或被Zx取代的碳原子，Zx代表饱和的烷基基团，其具有1至4个碳原子等，Rs代表-D-Rx等，D代表单键，氧原子等，Rx代表饱和的烷基基团，其具有3至8个碳原子等，AR代表部分不饱和或完全不饱和的紧凑双环碳环或杂环，Y代表氢原子，具有1至4个碳原子的低烷基基团等]或其盐。提供了一种具有前列腺素生成抑制作用和白三烯生成抑制作用的化合物。
• Transition Metal Free C–N Bond Forming Dearomatizations and Aryl C–H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent
  作者：Joshua J. Farndon、Xiaofeng Ma、John F. Bower

  DOI：10.1021/jacs.7b07830

  日期：2017.10.11

  We outline a simple protocol that accesses directly unprotected secondary amines by intramolecular C-N bond forming dearomatization or aryl C-H amination. The method is dependent on the generation of a potent electrophilic aminating agent released by in situ deprotection of O-Ts activated N-Boc hydroxylamines.