2'-bromo-5-methyl-[2,3']bithiophene | 1231767-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2'-bromo-5-methyl-[2,3']bithiophene
• 英文别名: 2-Bromo-3-(5-methylthiophen-2-yl)thiophene
• CAS: 1231767-24-0
• 化学式: C₉H₇BrS₂
• 分子量: 259.191
• InChiKey: IWPAYEQDMQNGAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2'-bromo-5-methyl-[2,3']bithiophene 、 5-甲基噻酚-2-硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 16.0h， 以64%的产率得到5,5"-dimethyl-[2,2':3',2"]terthiophene
  参考文献：
  名称：

  Tetrathiophenes with thiophene side chains: effect of substitution on packing and conjugation

  摘要：

  The effect of substitution pattern on conjugation and packing has been investigated by synthesizing a series of tetrathiophenes with systematically varied alkyl thiophene substituents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.087
• 作为产物：
  描述：

  5-methyl-2,3′-bithiophene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以90%的产率得到2'-bromo-5-methyl-[2,3']bithiophene
  参考文献：
  名称：

  Tetrathiophenes with thiophene side chains: effect of substitution on packing and conjugation

  摘要：

  The effect of substitution pattern on conjugation and packing has been investigated by synthesizing a series of tetrathiophenes with systematically varied alkyl thiophene substituents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.087

文献信息

• Organic semiconductor material, organic semiconductor structure and organic semiconductor apparatus
  申请人：Sugawara Shigeru

  公开号：US20070045614A1

  公开（公告）日：2007-03-01

  An organic semiconductor material characterized by having a structure represented by chemical formula 1, the planarity of a main chain A1-X-A2 being disintegrated by steric hindrance between B1 and X and steric hindrance between B2 and X, the organic semiconductor material having a number average molecular weight of about 2,000 to about 200,000: wherein A1, A2, B1, B2 and X each have a skeleton structure comprising L 6 π electron rings, M 8 π electron rings, N 10 π electron rings, O 12 π electron rings, P 14 π electron rings, Q 16 π electron rings, R 18 π electron rings, S 20 π electron rings, T 22 π electron rings, U 24 π electron rings, and V 26 π electron rings, wherein L, M, N, O, P, Q, R, S, T, U, and V are each an integer of 0 (zero) to 6 and L+M+N+O+P+Q+R+S+T+U+V=1 to 6; and B1 and B2 have an alkyl group.

  一种有机半导体材料，其结构由化学式1所表示，其中主链A1-X-A2的平面性被B1和X之间的立体位阻和B2和X之间的立体位阻破坏，该有机半导体材料的数均分子量约为2,000到约200,000：其中A1，A2，B1，B2和X各自具有骨架结构，包括L 6 π电子环，M 8 π电子环，N 10 π电子环，O 12 π电子环，P 14 π电子环，Q 16 π电子环，R 18 π电子环，S 20 π电子环，T 22 π电子环，U 24 π电子环和V 26 π电子环，其中L，M，N，O，P，Q，R，S，T，U和V均为0（零）到6的整数，且L + M + N + O + P + Q + R + S + T + U + V = 1至6; B1和B2具有烷基。
• US7408188B2
  申请人：——

  公开号：US7408188B2

  公开（公告）日：2008-08-05
• Tetrathiophenes with thiophene side chains: effect of substitution on packing and conjugation
  作者：Geeta Saini、Nigel T. Lucas、Josemon Jacob

  DOI：10.1016/j.tetlet.2010.03.087

  日期：2010.6

  The effect of substitution pattern on conjugation and packing has been investigated by synthesizing a series of tetrathiophenes with systematically varied alkyl thiophene substituents. (C) 2010 Elsevier Ltd. All rights reserved.