2,3-bis(isopropylmercapto)benzaldehyde | 165283-85-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-bis(isopropylmercapto)benzaldehyde
• 英文别名: 2,3-bis(isopropylthio)benzaldehyde；2,3-Bis(propan-2-ylsulfanyl)benzaldehyde
• CAS: 165283-85-2
• 化学式: C₁₃H₁₈OS₂
• 分子量: 254.417
• InChiKey: WREFDHSJUCPMPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-bis(isopropylmercapto)benzaldehyde 在 lithium aluminium tetrahydride 、 氯化亚砜 、 magnesium 、 1,2-二溴乙烷 作用下， 以 四氢呋喃 、 乙醚 、 氯仿 为溶剂， 反应 16.0h， 生成 2-[2,3-bis(isopropylthio)benzyl]pyrimidine
  参考文献：
  名称：

  Synthesis and Characterization of Functionalized Benzopentathiepins

  摘要：

  Four benzopentathiepins (12, 14, 16, and 18) having a functional group, such as aminoethyl, pyridyl, pyrimidinyl, and thienyl groups, respectively, on the benzene ring were synthesized from 3-substituted 1,2-benzenedithiol by sulfurization with elemental sulfur in the presence of ammonia. These benzopentathiepins were characterized in the light of interaction of the pentathiepin ring with the functional group.

  DOI：

  10.3987/com-00-9073
• 作为产物：
  描述：

  1,2-苯二硫醇 在 sodium hydroxide 、 正丁基锂 、 四甲基乙二胺 、 甲基三辛基氯化铵 作用下， 以 正己烷 、 水 、 苯 为溶剂， 反应 15.0h， 生成 2,3-bis(isopropylmercapto)benzaldehyde
  参考文献：
  名称：

  Synthesis and Characterization of Functionalized Benzopentathiepins

  摘要：

  Four benzopentathiepins (12, 14, 16, and 18) having a functional group, such as aminoethyl, pyridyl, pyrimidinyl, and thienyl groups, respectively, on the benzene ring were synthesized from 3-substituted 1,2-benzenedithiol by sulfurization with elemental sulfur in the presence of ammonia. These benzopentathiepins were characterized in the light of interaction of the pentathiepin ring with the functional group.

  DOI：

  10.3987/com-00-9073

文献信息

• Efficient Synthesis and Biological Properties of New Benzopentathiepins
  作者：Ryu Sato、Tetsuya Ohyama、Satoshi Ogawa

  DOI：10.3987/com-95-7052

  日期：——

  New 6,7-dimethoxybenzopentathiepin and 6-(2-aminoethyl)benzopentathiepin, which are partial structures of varacin, were synthesized from 1,2-dimethoxybenzene and 1,2-benzenedithiol respectively.
• Self‐Assembly of a Tetranuclear Co ^III ‐Metallacycle from the Reaction of a Bis(benzene‐ <i>o</i> ‐dithiolato) Ligand with Co ^II and Subsequent Aerial Oxidation
  作者：F. Ekkehardt Hahn、Thorsten Kreickmann、Tania Pape

  DOI：10.1002/ejic.200500862

  日期：2006.2

  AbstractThe bis(benzene‐o‐dithiol) ligand [(HS)2‐2,3‐C6H3–CH2–C6H3‐2,3‐(SH)2] (H4‐1) reacts, after deprotonation with Li2CO3, with CoCl2·6H2O. Aerial oxidation in methanol gives the tetranuclear metallacycle Li4[Co4(1)4]. The X‐ray structure analysis of (PNP)4[Co4(1)4] (7) reveals a cyclic structure in which each of the bis(benzene‐o‐dithiolato) ligands forms a bridge between two cobalt centers. Two differently coordinated cobalt atoms (synandanti) are observed in the tetranuclear complex. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)