2-(isopropylamino)-4-tert-butylphenol | 776993-19-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(isopropylamino)-4-tert-butylphenol
• 英文别名: 4-Tert-butyl-2-(propan-2-ylamino)phenol
• CAS: 776993-19-2
• 化学式: C₁₃H₂₁NO
• 分子量: 207.316
• InChiKey: ZJXMVSKUBBGWJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.54
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(isopropylamino)-4-tert-butylphenol 在 呫吨-9-甲酸 、 (2R,5R)-1-(2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl)-2,5-diisopropylphospholane 、 sodium hydride 、 sodium phosphate 作用下， 以 DCE 、 对二甲苯 为溶剂， 反应 12.0h， 生成 (R)-6-(tert-butyl)-2-methyl-1-((trifluoromethyl)sulfonyl)indoline
  参考文献：
  名称：

  手性单齿膦和大宗羧酸：在钯催化的对映选择性C（sp3）–H功能化中的协同作用

  摘要：

  联手：重要的二氢吲哚骨架在钯（0）催化的芳基三氟甲磺酸酯的C（sp 3）–H活化中的对映体比率高达98：2 。关键是富电子的单齿鼠尾草和庞大的9 H-蒽并9-9羧酸的组合。两者都以高度合作的方式参与对映确定一致的去质子化金属化步骤（参见方案，Tf = triflate）。

  DOI：

  10.1002/anie.201108511

文献信息

• Antioxidant and bisaminophenol derivative
  申请人：Shiraki Yasushi

  公开号：US20060208227A1

  公开（公告）日：2006-09-21

  The present invention provides antioxidants made of an aromatic hydroxyamine derivative having a structure represented by the general formula (I): wherein R 1 , R 2 and R 3 are each independently a hydrogen atom or an alkyl group having 1 to 20 carbon atoms; X is a hydrogen atom or an OH group; Y is a hydrogen atom or an NHR 1 group; A is a direct bond, —O—, —NH—, —SO 2 —, —CH 2 — or —C(CH 3 ) 2 —, and when an OH group and an NHR 1 group are introduced to a unilateral benzene ring, these groups are respectively bonded to adjacent positions of the benzene ring; and n is 0 or 1 with the proviso that when n is 0, R 1 is not a hydrogen atom, as well as bisaminophenol derivatives represented by the above general formula (I) wherein n is 1; R 2 and R 3 are each a hydrogen atom; X is an OH group; Y is an NHR 1 group; A is —C(CH 3 ) 2 —; and R 1 is isopropyl, isobutyl or isohexyl. The aromatic hydroxyamine derivatives having a structure represented by the general formula (I), in particular, the bisaminophenol derivatives as novel substances, exhibit an excellent oxidation-inhibiting property, and are usable as antioxidants or polymerization inhibitors.

  本发明提供一种抗氧化剂，其由一种芳香族羟胺衍生物制成，其结构由通式（I）表示： 其中，R1、R2和R3分别独立地为氢原子或具有1到20个碳原子的烷基；X为氢原子或OH基团；Y为氢原子或NHR1基团；A为直接键，-O-，-NH-，-SO2-，-CH2-或-C(CH3)2-，当OH基团和NHR1基团被引入单侧苯环时，这些基团分别与苯环的相邻位置键合；n为0或1，但当n为0时，R1不是氢原子，以及由上述通式（I）表示的双氨基酚衍生物，其中n为1；R2和R3均为氢原子；X为OH基团；Y为NHR1基团；A为-C( )2-；R1为异丙基、异丁基或异己基。具有通式（I）表示的芳香族羟胺衍生物，特别是作为新物质的双氨基酚衍生物，表现出优异的抗氧化性能，并可用作抗氧化剂或聚合物抑制剂。
• ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE
  申请人：SHIRAKI Yasushi

  公开号：US20080161608A1

  公开（公告）日：2008-07-03

  The present invention provides antioxidants made of an aromatic hydroxyamine derivative having a structure represented by the general formula (I): wherein R 1 , R 2 and R 3 are each independently a hydrogen atom or an alkyl group having 1 to 20 carbon atoms; X is a hydrogen atom or an OH group; Y is a hydrogen atom or an NHR 1 group; A is a direct bond, —O—, —NH—, —SO 2 —, —CH 2 — or —C(CH 3 ) 2 —, and when an OH group and an NHR 1 group are introduced to a unilateral benzene ring, these groups are respectively bonded to adjacent positions of the benzene ring; and n is 0 or 1 with the proviso that when n is 0, R 1 is not a hydrogen atom, as well as bisaminophenol derivatives represented by the above general formula (I) wherein n is 1; R 2 and R 3 are each a hydrogen atom; X is an OH group; Y is an NHR 1 group; A is —C(CH 3 ) 2 —; and R 1 is isopropyl, isobutyl or isohexyl. The aromatic hydroxyamine derivatives having a structure represented by the general formula (I), in particular, the bisaminophenol derivatives as novel substances, exhibit an excellent oxidation-inhibiting property, and are usable as antioxidants or polymerization inhibitors.

  本发明提供了一种芳香族羟胺衍生物制备的抗氧化剂，其结构由通式（I）表示：其中，R1、R2和R3各自独立地是氢原子或具有1到20个碳原子的烷基基团；X是氢原子或羟基（OH）基团；Y是氢原子或NHR1基团；A是直接键、—O—、—NH—、—SO2—、—CH2—或—C（CH3）2—，当在一个单侧苯环上引入OH基团和NHR1基团时，这些基团分别与苯环的相邻位置结合；n为0或1，但当n为0时，R1不是氢原子。此外，本发明还提供了通式（I）所表示的双氨基酚衍生物，其中n为1；R2和R3均为氢原子；X为羟基（OH）基团；Y为NHR1基团；A为—C（ ）2—；而R1为异丙基、异丁基或异己基。具有通式（I）所表示的芳香族羟胺衍生物，尤其是作为新化合物的双氨基酚衍生物，表现出优异的抗氧化性能，可用作抗氧化剂或聚合抑制剂。
• US7498467B2
  申请人：——

  公开号：US7498467B2

  公开（公告）日：2009-03-03