3,3'-dibromo-5,6,5',6'-tetramethylbiphenyl-2,2'-diamine | 909135-19-9

• 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: 3,3'-dibromo-5,6,5',6'-tetramethylbiphenyl-2,2'-diamine
• 英文别名: 2-(2-Amino-3-bromo-5,6-dimethylphenyl)-6-bromo-3,4-dimethylaniline
• CAS: 909135-19-9
• 化学式: C₁₆H₁₈Br₂N₂
• 分子量: 398.14
• InChiKey: PYZZZKPZVLDDAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3'-dibromo-5,6,5',6'-tetramethylbiphenyl-2,2'-diamine 、 3,4,5-三氟苯硼酸 在 palladium diacetate 、 三苯基膦 barium dihydroxide 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 12.0h， 以85%的产率得到3,4,5,3''',4''',5'''-hexafluoro-4',5',4'',5''-tetramethyl-(1,1';3',3'';1'',1''')quaterphenyl-2',2''-diamine
  参考文献：
  名称：

  OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME

  摘要：

  公开号：

  EP1854796B1
• 作为产物：
  描述：

  5,5',6,6'-tetramethyl-[1,1'-biphenyl]-2,2'-diamine 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 以65%的产率得到3,3'-dibromo-5,6,5',6'-tetramethylbiphenyl-2,2'-diamine
  参考文献：
  名称：

  OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME

  摘要：

  公开号：

  EP1854796B1

文献信息

• OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF
  申请人：Maruoka Keiji

  公开号：US20100041881A1

  公开（公告）日：2010-02-18

  An optically active quaternary ammonium salt compound represented by formula ( 1 ), wherein R 1 represents a halogen, a C 1-8 alkyl which is optionally substituted and which is linear, branched, or cyclic, a C 2-8 alkenyl which is optionally substituted, a C 2-8 alkynyl which is optionally substituted, a C 6-14 aryl which is optionally substituted, a C 3-8 heteroaryl which is optionally substituted, a C 1-8 alkoxy which is optionally substituted and which is linear, branched, or cyclic, or a C 7-16 aralkyl which is optionally substituted; R 2 and R 21 each independently represents hydrogen, halogen, nitro, a C 1-8 alkyl which is optionally substituted and which is linear, branched, or cyclic, a C 2-8 alkenyl which is optionally substituted, a C 2-8 alkynyl which is optionally substituted, a C 6-14 aryl which is optionally substituted, a C 1-8 alkoxy which is optionally substituted and which is linear, branched, or cyclic, or a C 7-16 aralkyl which is optionally substituted; one of combinations of R 1 and R 21 , and R 2 and R 21 , may bond to form a C 1-6 alkylene which is optionally substituted, a C 1-6 alkylenemonooxy which is optionally substituted, or a C 1-6 alkylenedioxy which is optionally substituted; R 3 and R 4 each independently represents hydrogen, a C 6-14 aryl which is optionally substituted, a C 3-8 heteroaryl which is optionally substituted, or a C 7-16 aralkyl which is optionally substituted, with a proviso that R 3 and R 4 are not hydrogen at the same time; R 5 represents hydrogen, halogen, a C 1-8 alkyl which is optionally substituted and which is linear, branched, or cyclic, a C 1-8 alkoxy which is optionally substituted and which is linear, branched, or cyclic, a C 2-8 alkenyl which is optionally substituted, or a C 2-8 alkynyl which is optionally substituted; R 6 represents halogen, a C 1-8 alkyl which is optionally substituted and which is linear, branched, or cyclic, a C 1-8 alkoxy which is optionally substituted and which is linear, branched, or cyclic, a C 2-8 alkenyl which is optionally substituted, or a C 2-8 alkynyl which is optionally substituted, and R 5 and R 6 may bond to form an aromatic ring which is optionally substituted; ring A and ring B do not have a same substituent at the same time; symbols * and ** represent an optical activity having an axial chirality; and X −1 represents an anion.

  一种光学活性的季铵盐化合物，其化学式表示为（1），其中R1代表卤素，C1-8烷基（可选择性取代，线性、支链或环状），C2-8烯基（可选择性取代），C2-8炔基（可选择性取代），C6-14芳基（可选择性取代），C3-8杂环芳基（可选择性取代），C1-8烷氧基（可选择性取代，线性、支链或环状）或C7-16芳基烷基（可选择性取代）；R2和R21各自独立地表示氢，卤素，硝基，C1-8烷基（可选择性取代，线性、支链或环状），C2-8烯基（可选择性取代），C2-8炔基（可选择性取代），C6-14芳基（可选择性取代），C1-8烷氧基（可选择性取代，线性、支链或环状）或C7-16芳基烷基（可选择性取代）；R1和R21的组合之一，以及R2和R21的组合之一，可以结合形成C1-6烷基（可选择性取代），C1-6烷基单氧（可选择性取代）或C1-6烷基二氧（可选择性取代）；R3和R4各自独立地表示氢，C6-14芳基（可选择性取代），C3-8杂环芳基（可选择性取代）或C7-16芳基烷基（可选择性取代），但R3和R4不能同时为氢；R5表示氢，卤素，C1-8烷基（可选择性取代，线性、支链或环状），C1-8烷氧基（可选择性取代，线性、支链或环状），C2-8烯基（可选择性取代）或C2-8炔基（可选择性取代）；R6表示卤素，C1-8烷基（可选择性取代，线性、支链或环状），C1-8烷氧基（可选择性取代，线性、支链或环状），C2-8烯基（可选择性取代）或C2-8炔基（可选择性取代），且R5和R6可以结合形成一个芳环（可选择性取代）；环A和环B在同一时间不具有相同的取代基；符号*和**表示轴手性的光学活性；X^-1表示阴离子。
• US8367820B2
  申请人：——

  公开号：US8367820B2

  公开（公告）日：2013-02-05
• US8962898B2
  申请人：——

  公开号：US8962898B2

  公开（公告）日：2015-02-24
• OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME
  申请人：Nippon Soda Co., Ltd.

  公开号：EP1854796B1

  公开（公告）日：2016-05-04