5,6,14,15-tetrachloro-8-phenyl-1H-isochromeno[6',5',4':10,5,6]anthra[2,1,9-mna]acridine-1,3(8H)-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5,6,14,15-tetrachloro-8-phenyl-1H-isochromeno[6',5',4':10,5,6]anthra[2,1,9-mna]acridine-1,3(8H)-dione
• 英文别名: 5,6,14,15-tetrachloro-8-phenyl-1H-isochromeno-[6',5',4':10,5,6]anthra[2,1,9-mna]acridine-1,3(8H)-dione；11,14,26,30-tetrachloro-23-phenyl-7-oxa-23-azaoctacyclo[14.10.2.22,5.03,12.04,9.013,27.017,22.024,28]triaconta-1(26),2(30),3,5(29),9,11,13,15,17,19,21,24,27-tridecaene-6,8-dione
• 化学式: C₃₄H₁₃Cl₄NO₃
• 分子量: 625.294
• InChiKey: VJLOADWJNFEWPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  42
• 可旋转键数：
  1
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,6,14,15-tetrachloro-8-phenyl-1H-isochromeno[6',5',4':10,5,6]anthra[2,1,9-mna]acridine-1,3(8H)-dione 、 聚甘氨酸 在 咪唑 作用下， 反应 4.0h， 以92%的产率得到2-(5,6,14,15-tetrachloro-1,3-dioxo-8-phenylisoquinolino-[6',5',4':10,5,6]anthra[2,1,9-mna]acridin-2(1H,3H,8H)-yl)acetic acid
  参考文献：
  名称：

  PERYLENEMONOIMIDE AND NAPHTHALENEMONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS

  摘要：

  本发明涉及在染料敏化太阳能电池中使用化合物I的公式：。它还涉及到公式I'的化合物：到公式I''的化合物：到公式II的化合物的使用：作为制造公式I的前体化合物当q为0或1时，以及作为制造公式I'的前体化合物当q为1时；到公式III的化合物：到在染料敏化太阳能电池中使用公式I、I'或I''的化合物作为敏化剂；以及这种染料敏化太阳能电池。

  公开号：

  US20160024106A1
• 作为产物：
  描述：

  1,6,7,12-tetrachloro-9,10-dibromo-3,4-perylene anhydride 、 二苯胺 在 palladium diacetate 、 sodium t-butanolate 、 三环己基膦 作用下， 以 甲苯 为溶剂， 以40 %的产率得到5,6,14,15-tetrachloro-8-phenyl-1H-isochromeno[6',5',4':10,5,6]anthra[2,1,9-mna]acridine-1,3(8H)-dione
  参考文献：
  名称：

  通过连续 C−N 和 C−C 键形成的高性能近红外氯化萘嵌苯甲酰亚胺荧光团

  摘要：

  一类新型近红外 (NIR) 荧光团是通过二苯胺和 9,10-二溴苝甲酰亚胺之间连续形成 C−N/CC−C 键而获得的。这些荧光团表现出高荧光量子产率、大斯托克斯位移和高光稳定性，使它们成为有用的近红外发射器，可用于生物标记和安全墨水等应用。

  DOI：

  10.1002/anie.202315156

文献信息

• Perylenemonoimide and naphthalenemonoimide derivatives and their use in dye-sensitized solar cells
  申请人：BASF SE

  公开号：US09428518B2

  公开（公告）日：2016-08-30

  A sensitizer in a dye-sensitized solar cell, including a compound of formula (I′) where: R1 and R2 are hydrogen, a halogen, an alkyl group, a cycloalkyl group, an aryl group, a hetaryl group, an alkoxy group, an aryloxy group, an arylthio group, a hetaryloxy group, a hetarylthio group, a diarylamino group, or a dialkylamino group; m, n are each independently an integer from 0-4; X is sulfur, oxygen, or NR3, where R3 is hydrogen, an alkyl group, a cycloalkyl group, an aryl group, or a hetaryl group; Y1 is oxygen or N—Z-A, where A is —COOM, —SO3M, or —PO3M, where M is hydrogen, an alkali metal cation, or [NR′]4+, where each R′ is independently hydrogen or an alkyl group, and where Z is C1-C6-alkylene or 1,4-phenylene, where the phenylene radical is optionally substituted by one or more alkyl, nitro, cyano, and halogen substituents.

  一种染料敏化太阳能电池中的敏化剂，包括式(I')的化合物，其中：R1和R2分别是氢、卤素、烷基、环烷基、芳基、杂芳基、烷氧基、芳氧基、芳硫基、杂芳氧基、杂芳硫基、二芳基胺基或二烷基胺基；m和n分别是0-4的整数；X是硫、氧或NR3，其中R3是氢、烷基、环烷基、芳基或杂芳基；Y1是氧或N-Z-A，其中A是—COOM、—SO3M或—PO3M，其中M是氢、碱金属阳离子或[NR']4+，其中每个R'分别是氢或烷基，而Z是C1-C6-烷基或1,4-苯撑基，其中苯撑基可以选择地被一个或多个烷基、硝基、氰基和卤素取代基取代。
• US9428518B2
  申请人：——

  公开号：US9428518B2

  公开（公告）日：2016-08-30
• [EN] PERYLENEMONOIMIDE AND NAPHTHALENEMONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS<br/>[FR] DÉRIVÉS DE PÉRYLÈNEMONOIMIDE ET DE NAPHTALÈNEMONOIMIDE ET LEUR UTILISATION DANS DES PHOTOPILES SENSIBILISÉES PAR COLORANT
  申请人：BASF SE

  公开号：WO2014147525A2

  公开（公告）日：2014-09-25

  The present invention relates to the use of compounds of general formula (I) wherein the variables have the meaning given in the description in dye-sensitized solar cells; to compounds of general formula (I') wherein the variables have the meaning given in the description; to compounds of general formula (I") wherein the variables have the meaning given in the description; to the use of compounds of general formula (II) in the case of q equal to 0 or 1 : as precursor compounds for the manufacture of compounds of general formula (I) and in the case of q equal to 1 : as precursor compounds for the manufacture of compounds of general formula (I') wherein the remaining variables have the meaning given in the description; to compounds of general formula (III) wherein the variables have the meaning given in the description; to the use of compounds of general formulae (I), (I') or (I") as sensitizers in dye-sensitized solar cells; and to such dye-sensitized solar cells per se.
• PERYLENEMONOIMIDE AND NAPHTHALENEMONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS
  申请人：BASF SE

  公开号：US20160024106A1

  公开（公告）日：2016-01-28

  The present invention relates to the use of a compound of formula I: in dye-sensitized solar cells. It also relates to a compound of formula I′: to a compound of formula I″: to the use of a compound of formula II: as a precursor compound for manufacturing the compound of formula I when q is 0 or 1 and as a precursor compound for manufacturing the compound of formula I′ when q is 1; to a compound of formula III: to the use of the compounds of formulae I, I′ or I″ as sensitizers in dye-sensitized solar cells; and to such dye-sensitized solar cells.

  本发明涉及在染料敏化太阳能电池中使用化合物I的公式：。它还涉及到公式I'的化合物：到公式I''的化合物：到公式II的化合物的使用：作为制造公式I的前体化合物当q为0或1时，以及作为制造公式I'的前体化合物当q为1时；到公式III的化合物：到在染料敏化太阳能电池中使用公式I、I'或I''的化合物作为敏化剂；以及这种染料敏化太阳能电池。