Trifluoro-acetic acid 1,3-dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl ester | 944389-48-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Trifluoro-acetic acid 1,3-dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl ester
• 英文别名: (1,3-Dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl) 2,2,2-trifluoroacetate
• CAS: 944389-48-4
• 化学式: C₉H₃Br₂F₃O₃S
• 分子量: 407.99
• InChiKey: KSGLHDJXZPAMLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Trifluoro-acetic acid 1,3-dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl ester 在 chromium(VI) oxide 、 air 、 硫酸 、 水 作用下， 以 丙酮 为溶剂， 反应 24.25h， 生成 1,3-dibromo-cyclopenta[c]thiophene-4,6-dione
  参考文献：
  名称：

  First Synthesis of Isothianinhydrin, the Second Thiophene Isostere of Ninhydrin

  摘要：

  报告首次合成了茚三酮的噻吩异构体异噻吩海德林（5,5-二羟基-5,6-二氢-4H-环戊并[c]噻吩-4,6-二酮）及其溴和氯衍生物，并初步评估了它们在指纹检测领域的用途。

  DOI：

  10.1055/s-1999-2845
• 作为产物：
  描述：

  1,3-dibromo-4-oxo-5,6-dihydro-4H-cyclopentathien-6-ylammonium chloride 、 三氟乙酸 在 水 、 sodium nitrite 作用下， 生成 Trifluoro-acetic acid 1,3-dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl ester
  参考文献：
  名称：

  First Synthesis of Isothianinhydrin, the Second Thiophene Isostere of Ninhydrin

  摘要：

  报告首次合成了茚三酮的噻吩异构体异噻吩海德林（5,5-二羟基-5,6-二氢-4H-环戊并[c]噻吩-4,6-二酮）及其溴和氯衍生物，并初步评估了它们在指纹检测领域的用途。

  DOI：

  10.1055/s-1999-2845

文献信息

• Condensation Compound Between Fluorinated Cyclopentane Ring and Aromatic Ring, and Process for Producing the Same
  申请人：Ie Yutaka

  公开号：US20080207922A1

  公开（公告）日：2008-08-28

  A condensation compound of a fluorinated cyclopentane ring and an aromatic ring, which is useful, for example, for electronic materials, and a process for producing the same are provided. For instance, according to Scheme 1 below, a compound (68) containing a condensed structure formed of a hexafluorocyclopentane ring and an aromatic ring is synthesized. The aromatic ring is not limited to a thiophene ring but can be any ring and any substituent can be used. Thus a compound containing a condensed ring structure formed of a hexafluorocyclopentane ring and an aromatic ring, particularly, for instance, a thiophene ring, which was impossible to produce conventionally, can be produced easily with high yield. The compound of the present invention is particularly suitable to be applied to, for example, electronic materials or semiconductors. When it is polymerized and thereby the π-electronic conjugation is extended, it also is expected to be applied to, for example, n-type organic semiconductors and molecular wires that are indispensable for developing molecular electronics elements.
• CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME
  申请人：IE Yutaka

  公开号：US20110213162A1

  公开（公告）日：2011-09-01

  A condensation compound of a fluorinated cyclopentane ring and an aromatic ring, which is useful, for example, for electronic materials, and a process for producing the same are provided. For instance, according to Scheme 1 below, a compound (68) containing a condensed structure formed of a hexafluorocyclopentane ring and an aromatic ring is synthesized. The aromatic ring is not limited to a thiophene ring but can be any ring and any substituent can be used. Thus a compound containing a condensed ring structure formed of a hexafluorocyclopentane ring and an aromatic ring, particularly, for instance, a thiophene ring, which was impossible to produce conventionally, can be produced easily with high yield. The compound of the present invention is particularly suitable to be applied to, for example, electronic materials or semiconductors. When it is polymerized and thereby the π-electronic conjugation is extended, it also is expected to be applied to, for example, n-type organic semiconductors and molecular wires that are indispensable for developing molecular electronics elements.
• US8008336B2
  申请人：——

  公开号：US8008336B2

  公开（公告）日：2011-08-30
• US8129400B2
  申请人：——

  公开号：US8129400B2

  公开（公告）日：2012-03-06
• US8207184B2
  申请人：——

  公开号：US8207184B2

  公开（公告）日：2012-06-26