Benzyl 4-(dimethylamino)benzoate | 95152-18-4

• 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: Benzyl 4-(dimethylamino)benzoate
• CAS: 95152-18-4
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: KAQXEMSHTWYFQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzyl 4-(dimethylamino)benzoate 在 fac-tris(2-phenylpyridinato-N,C2')iridium(III) 、 甲酸 、 N,N-二异丙基乙胺 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 64.0h， 生成 苯甲酸苄酯
  参考文献：
  名称：

  使用铱光氧化还原催化将铵盐作为方便的自由基前体

  摘要：

  由于铵盐的碳-氮键强度，通常认为铵盐很难还原成相应的自由基。在这里，我们公开了几种铵盐可以很容易地使用铱光氧化还原催化活化以形成自由基，并说明了这种通过加氢脱氨反应和自由基偶联激活强 C-N 键的合成效用。利用循环伏安法来合理化观察到的这些铵盐活化的反应性。

  DOI：

  10.1021/acs.orglett.2c01407
• 作为产物：
  描述：

  以 二氯甲烷 、 苯 为溶剂， 生成 4-(dimethylamino)pyridine hydrochloride 、 Benzyl 4-(dimethylamino)benzoate
  参考文献：
  名称：

  Drizhd, L. P.; Bondarenko, L. I.; Savelova, V. A., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 11, p. 2187 - 2193

  摘要：

  DOI：

文献信息

• Ru‐Catalyzed Selective C(sp ³ )−H Monoborylation of Amides and Esters
  作者：Wubing Yao、Jianguo Yang、Feiyue Hao

  DOI：10.1002/cssc.201902448

  日期：2020.1.9

  and aryl amides and challenging esters, with a low-cost and bench-stable boron source, providing boronates with exclusive selectivity, high efficiency, and high turnover number (up to 8900). This novel strategy may offer a versatile and environmentally friendly alternative to current methods for selective C(sp3 )-H borylation that employ even more expensive metals, such as iridium and rhodium.

  已经开发出了一种钌催化方法，用于各种未活化的烷基和芳基酰胺和具有挑战性的酯的C（sp3）-H单硼化，具有低成本和稳定的硼源，可为硼酸盐提供独有的选择性，高效率和高纯度。高流失人数（高达8900）。这种新颖的策略可以为使用选择性碳（sp3）-H硼化的当前方法提供通用且对环境友好的替代方法，该方法采用甚至更昂贵的金属（例如铱和铑）。
• Nickel-catalyzed alkoxycarbonylation of aryl iodides with 1 atm CO
  作者：Ning Liu、Xianqing Wu、Chenglong Wang、Jingping Qu、Yifeng Chen

  DOI：10.1039/d2cc00876a

  日期：——

  nickel-catalyzed alkoxycarbonylation of aromatic iodides with alcohols under atmospheric pressure of carbon monoxide is presented here. This operationally simple protocol allows the facile synthesis of (hetero)aromatic esters, exhibiting broad substrate scope with excellent functional group tolerance. Various primary and secondary aliphatic alcohols as well as phenols are suitable for this transformation

  本文介绍了在大气压的一氧化碳条件下，镍催化的芳香碘化物与醇的烷氧基羰基化反应。这种操作简单的协议允许轻松合成（杂）芳族酯，表现出广泛的底物范围和出色的官能团耐受性。各种伯和仲脂肪醇以及酚类都适用于这种转化。
• MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP3798214A1

  公开（公告）日：2021-03-31

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R1, R2, R3, W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明的特征是一种式 I 的化合物： 或其药学上可接受的盐，其中 R1、R2、R3、W、X、Y、Z、n、o、p 和 q 在本文中定义，用于治疗 CFTR 介导的疾病，如囊性纤维化。本发明还包括药物组合物、治疗方法及其试剂盒。
• DRIZHD, L. P.;BONDARENKO, L. I.;LITVINENKO, L. M.;SAVELOVA, V. A.;KIRICHE+, ZH. ORGAN. XIMII, 1984, 20, N 11, 2394-2400
  作者：DRIZHD, L. P.、BONDARENKO, L. I.、LITVINENKO, L. M.、SAVELOVA, V. A.、KIRICHE+

  DOI：——

  日期：——
• NONAQUEOUS INKJET INK, INK COMPOSITION FOR INKJET RECORDING, AND SUBSTRATE FOR COLOR FILTER
  申请人：Sato Shinichi

  公开号：US20090092801A1

  公开（公告）日：2009-04-09

  A nonaqueous ink composition for an ink jet recording, comprising (A) a urethane resin dispersant with an acidic functional group, (B) a pigment, and (C) an organic solvent [and optionally (D) a thermal reactive compound], characterized in that the urethane resin dispersant (A) is a branched urethane resin dispersant prepared by polymerizing a terminal-isocyanate-containing compound (p), which has been prepared by reacting (a) a polyisocyanate having three or more isocyanate groups, and (b) a monoalcohol, under the condition that a molar ratio (Ma/Mb) of the number of moles (Ma) of isocyanate groups (NCO) from the polyisocyanate (a) to the number of moles (Mb) of hydroxyl groups (OH) from the monoalcohol (b) is 3/2 to 3/0.5, (c) a compound having one or more acidic groups and two or more hydroxyl groups, and (q) a polyol compound having two or more hydroxyl groups via 1 to 30 atoms, under the condition that the hydroxyl groups are in excess; and in that 25% to 60% by weight of the polyisocyanate (a) is used with respect to a total amount of nonvolatile components in the branched urethane resin dispersant, is disclosed.