Methyl 2-cyano-2-thioxanthen-9-ylideneacetate | 1561880-82-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: Methyl 2-cyano-2-thioxanthen-9-ylideneacetate
• 英文别名: methyl 2-cyano-2-thioxanthen-9-ylideneacetate
• CAS: 1561880-82-7
• 化学式: C₁₇H₁₁NO₂S
• 分子量: 293.346
• InChiKey: LSGZLIYOFWTDBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-cyano-2-thioxanthen-9-ylideneacetate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以70%的产率得到
  参考文献：
  名称：

  COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES

  摘要：

  本公开涉及一些实施例，涉及分子，包括共轭融合多环分子，这些分子可以从其他分子（例如吸收光的分子）或直接从辐射源接收激发态能量。根据一些实施例，本公开涉及分子，包括共轭融合多环分子，这些分子可以通过释放为热量的方式解决（例如，熄灭，耗散）激发态能量。披露了具有各种结构的共轭融合多环分子，包括式III。本公开还涉及使用式I、II和/或III的分子进行治疗和/或疗法的方法。

  公开号：

  US20140044654A1
• 作为产物：
  描述：

  9-噻吨酮 、 氰乙酸甲酯 在 氯化亚砜 作用下， 反应 6.0h， 以60%的产率得到Methyl 2-cyano-2-thioxanthen-9-ylideneacetate
  参考文献：
  名称：

  COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES

  摘要：

  本公开涉及一些实施例，涉及分子，包括共轭融合多环分子，这些分子可以从其他分子（例如吸收光的分子）或直接从辐射源接收激发态能量。根据一些实施例，本公开涉及分子，包括共轭融合多环分子，这些分子可以通过释放为热量的方式解决（例如，熄灭，耗散）激发态能量。披露了具有各种结构的共轭融合多环分子，包括式III。本公开还涉及使用式I、II和/或III的分子进行治疗和/或疗法的方法。

  公开号：

  US20140044654A1

文献信息

• Method of quenching singlet and triplet excited states of photodegradable pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds having electron withdrawing groups, to reduce generation of singlet oxygen
  申请人：Hallstar Innovations Corp.

  公开号：US10632096B2

  公开（公告）日：2020-04-28

  A method of quenching excited state energy from a photodegradable pigment that has been excited by absorption of light having a wavelength in the wavelength range of 290-800 nm, comprising reacting a pigment with a conjugated fused tricyclic compound having electron withdrawing groups of Formula (II) or a salt thereof: wherein: A is selected from the group consisting of O, S, C═O, C═S, B1, B2, D1 and D2 are each independently selected from the group consisting of F, Cl, Br, I, CF3, CC13, NR33+, NO2, CN, C(═O)R4, C(═O)OR′, SO2R5, aryl, and —C═CHR6; each m independently is 0, 1, 2, 3, or 4; a is 0 or 1; each R′ is independently selected from the group consisting of LI, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl; R2 is selected from the group consisting of H, alkyl, cycloalkyl, alkenyl, alkynyl, and aryl; each R3 is independently selected from the group consisting of H and C1-C6 alkyl; each R4 is independently selected from the group consisting of H, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl; each R5 is independently selected from the group consisting of H, O, OH, NH2, and Cl; and each R6 is-independently selected from the group consisting of alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl.

  一种淬灭光降解颜料激发态能量的方法，该颜料通过吸收波长在 290-800 纳米范围内的光而激发，该方法包括使颜料与具有式 (II) 或其盐类电子萃取基团的共轭熔融三环化合物反应： 其中： A 选自 O、S、C═O、C═S 所组成的组、 B1、B2、D1 和 D2 各自独立地选自由 F、Cl、Br、I、CF3、CC13、NR33+、NO2、CN、C(═O)R4、C(═O)OR′、SO2R5、芳基和-C═CHR6 组成的组； 每个 m 独立地为 0、1、2、3 或 4； a 是 0 或 1； 每个 R′独立地选自由 LI、烷基、烯基、炔基、环烷基、环烯基和芳基组成的组； R2 选自由 H、烷基、环烷基、烯基、炔基和芳基组成的组； 每个 R3 独立选自由 H 和 C1-C6 烷基组成的组 每个 R4 独立地选自由 H、烷基、烯基、炔基、环烷基、环烯基和芳基组成的组； 每个 R5 独立地选自由 H、O、OH、NH2 和 Cl 组成的组；以及 每个 R6 独立地选自由烷基、烯基、炔基、环烷基、环烯基和芳基组成的组。
• METHOD OF QUENCHING SINGLET AND TRIPLET EXCITED STATES OF PIGMENTS, SUCH AS PORPHYRIN COMPOUNDS, PARTICULARLY PROTOPORPHYRIN IX, WITH CONJUGATED FUSED TRICYCLIC COMPOUNDS HAVE ELECTRON WITHDRAWING GROUPS, TO REDUCE GENERATION OF REACTIVE OXYGEN SPECIES, PARTICULARLY SINGLET OXYGEN
  申请人：HALLSTAR INNOVATIONS CORP.

  公开号：US20150164852A1

  公开（公告）日：2015-06-18

  A method of quenching excited state energy from a pigment that has been excited by absorption of light having a wavelength in the wavelength range of 290-800 nm, comprising reacting a pigment with a conjugated fused tricyclic compound having electron withdrawing groups: of Formula (II) or a salt thereof: wherein: A is selected from the group consisting of O, S, C═O, C═S, and B 1 , B 2 , D 1 , and D 2 are each independently selected from the group consisting of F, Cl, Br, I, CF 3 , CCl 3 , NR 3 3 + , NO 2 , CN, C(═O)R 4 , C(═O)OR 1 , SO 2 R 5 , aryl, and —C═CHR 6 ; each m independently is 0, 1, 2, 3, or 4; n is 0 or 1; each R 1 is independently selected from the group consisting of H, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl; R 2 is selected from the group consisting of H, alkyl, cycloalkyl, alkenyl, alkynyl, and aryl; each R 3 is independently selected from the group consisting of H and C 1 -C 6 alkyl; each R 4 is independently selected from the group consisting of H, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl; each R 5 is independently selected from the group consisting of H, O − , OH, NH 2 , and Cl; and, each R 6 is independently selected from the group consisting of alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl.
• US9145383B2
  申请人：——

  公开号：US9145383B2

  公开（公告）日：2015-09-29
• US9611246B2
  申请人：——

  公开号：US9611246B2

  公开（公告）日：2017-04-04
• US9765051B2
  申请人：——

  公开号：US9765051B2

  公开（公告）日：2017-09-19