2,6-dibromo-4-(3-pyridyl)aniline | 215527-54-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-dibromo-4-(3-pyridyl)aniline
• 英文别名: 2,6-dibromo-4-(pyridin-3-yl)aniline；2,6-Dibromo-4-pyridin-3-ylaniline
• CAS: 215527-54-1
• 化学式: C₁₁H₈Br₂N₂
• 分子量: 328.006
• InChiKey: BTDKFFBIEYSUOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dibromo-4-(3-pyridyl)aniline 在 四(三苯基膦)钯 sodium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 、 苯 为溶剂， 反应 26.0h， 生成 N-[(4-nitrophenyl)thio]-2,6-diphenyl-4-(3-pyridyl)aniline
  参考文献：
  名称：

  Pyridyl-Substituted Thioaminyl Stable Free Radicals:  Isolation, ESR Spectra, and Magnetic Characterization¹

  摘要：

  N-[(4-Nitrophenyl)thio]- (1a) and N-[(2,4-dichlorophenyl)thio]-2,6-diphenenyl-4-(3-pyridyl)phenyl aminyl (1b), N-[(4-nitrophenyl)thio] - (2a) and N-[(2,4-dichlorophenyl)thio]-4-phenyl-2,6-di(3-pyridyl)-phenylaminyl (2b), and N-[(2,4-dichlorophenyl)thio]-2,6-diphenyl(4-pyridyl)aminyl (3) were generated by PbO2 oxidation of the corresponding precursors. Although 3 was not sufficiently stable to be isolated, both 1 and 2 persisted in solution without decomposition and could be isolated as radical crystals. X-ray crystallographic analysis of 1b revealed that the Ar-N-S-Ar' pi-framework is approximately planar and the 2- and B-phenyl groups are significantly twisted from this plane. The magnetic susceptibility measurements for the isolated radical crystals were carried out using a SQUID magnetometer in the temperature range 1.8-300 K. The susceptibilities of 1a and 2a were explained in terms of a one-dimensional (1D) antiferromagnetic (AFM) regular Heisenberg model with an exchange interaction of 2J/k(B) = -63.4 and -17.8 K, respectively, and that of 1b was interpreted in terms of a 1D AFM alternating Heisenberg model with 2J/k(B) = -12.8 K and a (alternation parameter) = 0.91. On the other hand, that of 2b was explained in terms of a 1D ferromagnetic regular Heisenberg model with 2J/k(B) = 22.4 K.

  DOI：

  10.1021/jo981155g
• 作为产物：
  描述：

  二乙基(3-吡啶基)-硼烷 在 四(三苯基膦)钯 氢氧化钾 、 benzyltrimethylammonium tribromide 、 四丁基溴化铵 、 calcium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 2,6-dibromo-4-(3-pyridyl)aniline
  参考文献：
  名称：

  Pyridyl-Substituted Thioaminyl Stable Free Radicals:  Isolation, ESR Spectra, and Magnetic Characterization¹

  摘要：

  N-[(4-Nitrophenyl)thio]- (1a) and N-[(2,4-dichlorophenyl)thio]-2,6-diphenenyl-4-(3-pyridyl)phenyl aminyl (1b), N-[(4-nitrophenyl)thio] - (2a) and N-[(2,4-dichlorophenyl)thio]-4-phenyl-2,6-di(3-pyridyl)-phenylaminyl (2b), and N-[(2,4-dichlorophenyl)thio]-2,6-diphenyl(4-pyridyl)aminyl (3) were generated by PbO2 oxidation of the corresponding precursors. Although 3 was not sufficiently stable to be isolated, both 1 and 2 persisted in solution without decomposition and could be isolated as radical crystals. X-ray crystallographic analysis of 1b revealed that the Ar-N-S-Ar' pi-framework is approximately planar and the 2- and B-phenyl groups are significantly twisted from this plane. The magnetic susceptibility measurements for the isolated radical crystals were carried out using a SQUID magnetometer in the temperature range 1.8-300 K. The susceptibilities of 1a and 2a were explained in terms of a one-dimensional (1D) antiferromagnetic (AFM) regular Heisenberg model with an exchange interaction of 2J/k(B) = -63.4 and -17.8 K, respectively, and that of 1b was interpreted in terms of a 1D AFM alternating Heisenberg model with 2J/k(B) = -12.8 K and a (alternation parameter) = 0.91. On the other hand, that of 2b was explained in terms of a 1D ferromagnetic regular Heisenberg model with 2J/k(B) = 22.4 K.

  DOI：

  10.1021/jo981155g

文献信息

• Naphthalene Derivative
  申请人：Kakizuka Akira

  公开号：US20130184241A1

  公开（公告）日：2013-07-18

  The present invention provides compounds which can regulate VCP activity. The present invention provides the compound of formula (I) (R is as defined in the description) or oxides, esters, prodrugs, pharmaceutically acceptable salts or solvates thereof. The compounds can regulate VCP activity, and thus are useful for treating VCP-mediated diseases such as neurodegenerative diseases.

  本发明提供了可以调节VCP活性的化合物。本发明提供了式(I)的化合物（其中R如描述中所定义）或其氧化物、酯、前药、药学上可接受的盐或溶剂。这些化合物可以调节VCP活性，因此可用于治疗VCP介导的疾病，如神经退行性疾病。
• NAPHTHALENE DERIVATIVE
  申请人：Daito Chemix Corporation

  公开号：EP2599771B1

  公开（公告）日：2016-09-14
• US9573887B2
  申请人：——

  公开号：US9573887B2

  公开（公告）日：2017-02-21
• Pyridyl-Substituted Thioaminyl Stable Free Radicals:  Isolation, ESR Spectra, and Magnetic Characterization¹
  作者：Yozo Miura、Shinya Kurokawa、Masaaki Nakatsuji、Kenjiro Ando、Yoshio Teki

  DOI：10.1021/jo981155g

  日期：1998.11.1

  N-[(4-Nitrophenyl)thio]- (1a) and N-[(2,4-dichlorophenyl)thio]-2,6-diphenenyl-4-(3-pyridyl)phenyl aminyl (1b), N-[(4-nitrophenyl)thio] - (2a) and N-[(2,4-dichlorophenyl)thio]-4-phenyl-2,6-di(3-pyridyl)-phenylaminyl (2b), and N-[(2,4-dichlorophenyl)thio]-2,6-diphenyl(4-pyridyl)aminyl (3) were generated by PbO2 oxidation of the corresponding precursors. Although 3 was not sufficiently stable to be isolated, both 1 and 2 persisted in solution without decomposition and could be isolated as radical crystals. X-ray crystallographic analysis of 1b revealed that the Ar-N-S-Ar' pi-framework is approximately planar and the 2- and B-phenyl groups are significantly twisted from this plane. The magnetic susceptibility measurements for the isolated radical crystals were carried out using a SQUID magnetometer in the temperature range 1.8-300 K. The susceptibilities of 1a and 2a were explained in terms of a one-dimensional (1D) antiferromagnetic (AFM) regular Heisenberg model with an exchange interaction of 2J/k(B) = -63.4 and -17.8 K, respectively, and that of 1b was interpreted in terms of a 1D AFM alternating Heisenberg model with 2J/k(B) = -12.8 K and a (alternation parameter) = 0.91. On the other hand, that of 2b was explained in terms of a 1D ferromagnetic regular Heisenberg model with 2J/k(B) = 22.4 K.