1,2,10,11-tetramethyl-4,8-bis(3,4,5-trifluorophenyl)-6,7-dihydro-5H-dibenzo(c,e)azepine | 909134-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1,2,10,11-tetramethyl-4,8-bis(3,4,5-trifluorophenyl)-6,7-dihydro-5H-dibenzo(c,e)azepine
• 英文别名: 1,2,10,11-tetramethyl-4,8-bis(3,4,5-trifluorophenyl)-6,7-dihydro-5H-benzo[d][2]benzazepine
• CAS: 909134-95-8
• 化学式: C₃₀H₂₃F₆N
• 分子量: 511.51
• InChiKey: RQZPSYRAHVEEAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2',2"-bis(bromomethyl)-3,4,5,3"',4"',5"'-hexafluoro-4',5',4",5"-tetramethyl-(1,1';3',3'';1",1"')quaterphenyl 在 氨 作用下， 以 水 、 乙腈 为溶剂， 反应 24.0h， 以100%的产率得到1,2,10,11-tetramethyl-4,8-bis(3,4,5-trifluorophenyl)-6,7-dihydro-5H-dibenzo(c,e)azepine
  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