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Spiro[1,3-dioxolane-2,7'-3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] | 1160067-14-0

中文名称
——
中文别名
——
英文名称
Spiro[1,3-dioxolane-2,7'-3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
英文别名
——
Spiro[1,3-dioxolane-2,7'-3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]化学式
CAS
1160067-14-0
化学式
C9H6N2O2S2
mdl
——
分子量
238.291
InChiKey
VWHLYCPCZBPVEO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.7
  • 重原子数:
    15
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    101
  • 氢给体数:
    0
  • 氢受体数:
    6

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    Spiro[1,3-dioxolane-2,7'-3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]三丁基氯化锡正丁基锂 作用下, 以 四氢呋喃 为溶剂, 反应 0.5h, 以75%的产率得到Tributyl-(10'-tributylstannylspiro[1,3-dioxolane-2,7'-3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl)stannane
    参考文献:
    名称:
    EP2223918
    摘要:
    公开号:
  • 作为产物:
    参考文献:
    名称:
    Air-Stable n-Type Organic Field-Effect Transistors Based on Carbonyl-Bridged Bithiazole Derivatives
    摘要:
    AbstractAn electronegative conjugated compound composed of a newly designed carbonyl‐bridged bithiazole unit and trifluoroacetyl terminal groups is synthesized as a candidate for air‐stable n‐type organic field‐effect transistor (OFET) materials. Cyclic voltammetry measurements reveal that carbonyl‐bridging contributes both to lowering the lowest unoccupied molecular orbital energy level and to stabilizing the anionic species. X‐ray crystallographic analysis of the compound shows a planar molecular geometry and a dense molecular packing, which is advantageous to electron transport. Through these appropriate electrochemical properties and structures for n‐type semiconductor materials, OFET devices based on this compound show electron mobilities as high as 0.06 cm2 V−1 s−1 with on/off ratios of 106 and threshold voltages of 20 V under vacuum conditions. Furthermore, these devices show the same order of electron mobility under ambient conditions.
    DOI:
    10.1002/adfm.200901803
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文献信息

  • CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT
    申请人:Osaka University
    公开号:EP2223918A1
    公开(公告)日:2010-09-01
    According to the first invention group there are provided conjugated compounds having two or more groups represented by the following formula (I) or the following formula (II): wherein one of Ar and Ar' represents a C6 or greater divalent aromatic hydrocarbon group and the other represents a C4 or greater divalent heterocyclic group, wherein the groups each may have a substituent, with the proviso that the groups as a whole contain no fluorine atoms, R1 and R2 each independently represent a hydrogen atom, a halogen atom or a monovalent group, and Ar" represents a trivalent aromatic hydrocarbon or trivalent heterocyclic group; when the conjugated compound has two or more groups represented by formula (I), the portion excluding these groups contain no fluorine atoms. According to the second group of the present invention there are provided nitrogen-containing fused-ring compounds represented by the following formula (α-I): in formula (α-I), R21 and R22 each independently represent a hydrogen atom, a halogen atom or an optionally substituted monovalent group, and Z21 and Z22 , each independently represent any one of the groups represented by the following formulas (α-i)-(α-ix); wherein R23, R24, R25 and R26 each independently represent a hydrogen atom, a halogen atom or a monovalent group, and R23 and R24 may bond together to form a ring, the left side and the right side of the group represented by formula (α-viii) may be interchanged.
    根据第一发明组,提供了具有两个或两个以上由下式(I)或下式(II)代表的基团的共轭化合物: 其中Ar和Ar'中的一个代表C6或更高的二价芳香烃基团,另一个代表C4或更高的二价杂环基团,其中各基团可有一个取代基,但各基团整体上不含氟原子,R1和R2各自独立地代表氢原子、卤素原子或一价基团,Ar "代表三价芳香烃或三价杂环基团;当共轭化合物具有两个或两个以上由式(I)表示的基团时,不包括这些基团的部分不含有氟原子。 根据本发明的第二组,提供了由下式(α-I)代表的含氮熔环化合物: 式(α-I)中,R21 和 R22 各自独立地代表氢原子、卤素原子或任选取代的一价基团,Z21 和 Z22 ,各自独立地代表下列式(α-i)-(α-ix)所代表的基团中的任一个; 其中 R23、R24、R25 和 R26 各自独立地代表氢原子、卤素原子或单价基团,且 R23 和 R24 可键合在一起形成环,式 (α-viii) 所代表基团的左侧和右侧可互换。
  • Nitrogen-containing fused-ring compound, polymer comprising a nitrogen-containing fused-ring repeating unit, organic thin film, and organic thin film element
    申请人:SUMITOMO CHEMICAL CO., LTD.
    公开号:EP2520572A1
    公开(公告)日:2012-11-07
    The present invention provides nitrogen-containing fused-ring compounds represented by the following formula (α-I): in formula (α-I), R21 and R22 each independently represent a hydrogen atom, a halogen atom or an optionally substituted monovalent group, and Z21 and Z22 each independently represent any one of the groups represented by the following formulas (α-i)-(α-ix); wherein R23, R24, R25 and R26 each independently represent a hydrogen atom, a halogen atom or a monovalent group, and R23 and R24 may bond together to form a ring, the left side and the right side of the group represented by formula (α-viii) may be interchanged.
    本发明提供了由下式(α-I)表示的含氮熔环化合物: 式(α-I)中,R21和R22各自独立地代表氢原子、卤素原子或任选取代的一价基团,Z21和Z22各自独立地代表下式(α-i)-(α-ix)所代表的基团中的任一个; 其中 R23、R24、R25 和 R26 各自独立地代表氢原子、卤素原子或单价基团,且 R23 和 R24 可键合在一起形成环,式 (α-viii) 所代表基团的左侧和右侧可互换。
  • US8378338B2
    申请人:——
    公开号:US8378338B2
    公开(公告)日:2013-02-19
  • EP2223918
    申请人:——
    公开号:——
    公开(公告)日:——
  • Air-Stable n-Type Organic Field-Effect Transistors Based on Carbonyl-Bridged Bithiazole Derivatives
    作者:Yutaka Ie、Masashi Nitani、Makoto Karakawa、Hirokazu Tada、Yoshio Aso
    DOI:10.1002/adfm.200901803
    日期:2010.3.24
    AbstractAn electronegative conjugated compound composed of a newly designed carbonyl‐bridged bithiazole unit and trifluoroacetyl terminal groups is synthesized as a candidate for air‐stable n‐type organic field‐effect transistor (OFET) materials. Cyclic voltammetry measurements reveal that carbonyl‐bridging contributes both to lowering the lowest unoccupied molecular orbital energy level and to stabilizing the anionic species. X‐ray crystallographic analysis of the compound shows a planar molecular geometry and a dense molecular packing, which is advantageous to electron transport. Through these appropriate electrochemical properties and structures for n‐type semiconductor materials, OFET devices based on this compound show electron mobilities as high as 0.06 cm2 V−1 s−1 with on/off ratios of 106 and threshold voltages of 20 V under vacuum conditions. Furthermore, these devices show the same order of electron mobility under ambient conditions.
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