2-tert-butoxy-5-chloroaniline | 958445-35-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-tert-butoxy-5-chloroaniline
• 英文别名: 3-chloro-6-t-butoxyaniline；2-(Tert-butoxy)-5-chloroaniline；5-chloro-2-[(2-methylpropan-2-yl)oxy]aniline
• CAS: 958445-35-7
• 化学式: C₁₀H₁₄ClNO
• 分子量: 199.68
• InChiKey: ZYGHQBMMCCGBKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-tert-butoxy-5-chloroaniline 、 三聚氯氰 以 乙腈 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  N4-Phenyl modifications of N2-(2-hydroxyl)ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease

  摘要：

  A series of 1,3,5-triazine-2,4,6-triamines were prepared and analyzed as inhibitors of glucocerebrosidase. Synthesis, structure activity relationships and the selectivity of chosen analogues against related Sugar hydrolases enzymes are described. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.08.050
• 作为产物：
  描述：

  5-氯-2-氟硝基苯 在 sodium dithionite 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.17h， 生成 2-tert-butoxy-5-chloroaniline
  参考文献：
  名称：

  N4-Phenyl modifications of N2-(2-hydroxyl)ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease

  摘要：

  A series of 1,3,5-triazine-2,4,6-triamines were prepared and analyzed as inhibitors of glucocerebrosidase. Synthesis, structure activity relationships and the selectivity of chosen analogues against related Sugar hydrolases enzymes are described. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.08.050

文献信息

• METHOD FOR PRODUCING BIARYL COMPOUND
  申请人：Sato Koichi

  公开号：US20100087680A1

  公开（公告）日：2010-04-08

  A method for producing a biaryl compound, comprising reacting an aromatic organic compound with at least one compound selected from the group consisting of aromatic organoboron compounds and boroxine compounds, in the presence of a zero-valent nickel catalyst, phosphine ligand and base.

  一种制备双芳基化合物的方法，包括在零价镍催化剂、膦配体和碱的存在下，将芳香有机化合物与选自芳香基有机硼化合物和硼氧化物化合物组的至少一种化合物反应。
• PROCESS FOR PRODUCING BIARYL COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1914221A1

  公开（公告）日：2008-04-23

  A method for producing a biaryl compound, comprising reacting an aromatic organic compound with at least one compound selected from the group consisting of aromatic organoboron compounds and boroxine compounds, in the presence of a zero-valent nickel catalyst, phosphine ligand and base.

  一种生产双芳基化合物的方法，包括在零价镍催化剂、膦配体和碱存在下，使芳香族有机化合物与至少一种选自由芳香族有机硼化合物和硼氧化合物组成的组中的化合物反应。
• N4-Phenyl modifications of N2-(2-hydroxyl)ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease
  作者：Wenwei Huang、Wei Zheng、Daniel J. Urban、James Inglese、Ellen Sidransky、Christopher P. Austin、Craig J. Thomas

  DOI：10.1016/j.bmcl.2007.08.050

  日期：2007.11

  A series of 1,3,5-triazine-2,4,6-triamines were prepared and analyzed as inhibitors of glucocerebrosidase. Synthesis, structure activity relationships and the selectivity of chosen analogues against related Sugar hydrolases enzymes are described. Published by Elsevier Ltd.