3,4-二溴-2,5-二甲基噻吩1,1-二氧化物 | 70061-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 3,4-二溴-2,5-二甲基噻吩1,1-二氧化物
• 英文名称: 3,4-dibromo-2,5-dimethylthiophen-1,1-dioxid
• 英文别名: 3,4-dibromo-2,5-dimethylthiophene-1,1-dioxide；3,4-dibromo-2,5-dimethylthiophene-S,S-dioxide；3,4-Dibrom-2,5-dimethyl-thiophen-1,1-dioxid；3,4-Dibromo-2,5-dimethylthiophene 1,1-dioxide
• CAS: 70061-39-1
• 化学式: C₆H₆Br₂O₂S
• 分子量: 301.986
• InChiKey: CQKFFLZFTZHYDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  299.9±40.0 °C(Predicted)
• 密度：
  2.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-二溴-2,5-二甲基噻吩1,1-二氧化物 、 双环[4.1.0]-1,3,5-庚三烯 以 四氢呋喃 为溶剂， 以5%的产率得到3,4-Dibromo-2,5-dimethylbicyclo<4.4.1>undeca-1,3,5,7,9-pentaen
  参考文献：
  名称：

  Herstellung substituierter 1,6-亚甲基[10]轮烯第三人以Cycloadditionsreaktionen DES 1 ħ -Cyclopropabenzols

  摘要：

  替补的合成1,6-亚甲基[10]轮烯1的环加成ħ -Cyclopropabenzene

  DOI：

  10.1002/hlca.19890720619
• 作为产物：
  描述：

  2,5-二甲基噻吩 在 二硫化碳 、 双氧水 、 溴 、 copper(l) cyanide 、 溶剂黄146 作用下， 生成 3,4-二溴-2,5-二甲基噻吩1,1-二氧化物
  参考文献：
  名称：

  Melles; Backer, Recueil des Travaux Chimiques des Pays-Bas, 1953, vol. 72, p. 314,321

  摘要：

  DOI：

文献信息

• Melles, Recueil des Travaux Chimiques des Pays-Bas, 1952, vol. 71, p. 869,874
  作者：Melles

  DOI：——

  日期：——
• The mechanism of the heterogeneous catalytic monooxidation of thiophene derivatives at the S position by hydrogen peroxide
  作者：I. T. Nagieva

  DOI：10.1134/s0036024409110119

  日期：2009.1

  A biomimetic catalytic reaction system for hetero-oriented monooxidation of heteroaromatic compounds was developed experimentally. The system consisted of two interacting synchronous reactions of the decomposition of H2O2 and substrate oxidation. The problem related to the preparation, isolation, and identification of thiophene derivative S-monoxides was solved.
• Photochemical and electrochemical behavior of thiophene-S-oxides
  作者：Thies Thiemann、Daisuke Ohira、Kazuya Arima、Tsuyoshi Sawada、Shuntaro Mataka、Frank Marken、Richard G. Compton、Steven D. Bull、Stephen G. Davies

  DOI：10.1002/1099-1395(200010)13:10<648::aid-poc290>3.0.co;2-t

  日期：2000.10

  The photochemical and electrochemical behavior of thiophene-S-oxides as a class was studied for the first time. It was shown that in both cases deoxygenation of the S-O functionality takes place. The outcome of the photoirradiation is very dependent on the substituent pattern of the starting material. Thiophene-S-oxides show different reduction behaviors in presence and absence of proton donors. In the absence of proton donors the reduction potential of the compounds is dependent on the substituents of the molecules. In the presence of proton donors, the substituents play a less significant role and a number of thiophene-S-oxides were reduced electrochemically to the corresponding thiophenes in presence of a 10-fold excess of benzoic acid. Copyright (C) 2000 John Wiley & Sons, Ltd.
• Mass spectrometric study of heterogeneous catalytic monooxidation of the S-position of thiophenes with hydrogen peroxide
  作者：I. T. Nagieva

  DOI：10.1134/s0036024409130330

  日期：2009.1

  A biomimetic catalytic reaction system is developed experimentally for heteromonooxidation of heteroaromatic compounds. The system consists of two interacting simultaneous reactions, decomposition of H2O2 and oxidation of the substrate. This leads to the synthesis, isolation, and identification of the S-monoxide of thiophenes.
• Gronowitz, Salo; Nikitidis, Grigorios; Hallberg, Anders, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1987, vol. 41, # 4, p. 297 - 301
  作者：Gronowitz, Salo、Nikitidis, Grigorios、Hallberg, Anders、Stalhandske, Claes

  DOI：——

  日期：——