2,3,5,6,-tetrahydronaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione | 29648-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,3,5,6,-tetrahydronaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione
• 英文别名: naphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione；3H,6H-1,4-oxathiino[6',5'-2,1]naphtho[3,4-e]1,4-oxathiin-2,7-dione；naphtho[1,2-b;4,3-b']bis[1,4]oxathiine-2,7-dione；naphtho[1,2-b;4,3-b']bis-[1,4]oxathiin-2,7-dione；Naphtho[1,2-b;4,3-b']bis[1,4]oxathiin-2,7-dion；1,8-Dioxa-4,5-dithia-triphenylene-2,7-dione；3,12-dioxa-6,9-dithiatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),8(13),14,16-pentaene-4,11-dione
• CAS: 29648-05-3
• 化学式: C₁₄H₈O₄S₂
• 分子量: 304.347
• InChiKey: QJEUUTZXDKIZOC-UHFFFAOYSA-N

物化性质

• 沸点：
  496.0±45.0 °C(Predicted)
• 密度：
  1.591±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3,5,6,-tetrahydronaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione 生成 2-(3-Carbamoylmethylsulfanyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-acetamide
  参考文献：
  名称：

  Oediger,H.; Joop,N., Justus Liebigs Annalen der Chemie, 1972, vol. 758, p. 1 - 15

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二溴-1,4-萘醌 、 巯基乙酸 在 吡啶 、 水 作用下， 生成 2,3,5,6,-tetrahydronaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione
  参考文献：
  名称：

  228.醌。第二部分 在苯醌和1：4-萘醌中添加巯基酸

  摘要：

  DOI：

  10.1039/jr9530001138

文献信息

• Tandon, V K; Vaish, Meenu; Jain, Sudha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 1, p. 53 - 54
  作者：Tandon, V K、Vaish, Meenu、Jain, Sudha

  DOI：——

  日期：——
• Synthesis and biological evaluation of novel 1,4-naphthoquinone derivatives as antibacterial and antiviral agents
  作者：Vishnu K. Tandon、Dharmendra B. Yadav、Ravindra V. Singh、Meenu Vaish、Ashok K. Chaturvedi、Praveen K. Shukla

  DOI：10.1016/j.bmcl.2005.04.075

  日期：2005.7

  A series of 1,4-naphthoquinone derivatives were synthesized and evaluated for antibacterial and antiviral activities. The structure-activity relationships of these compounds were also studied. The results suggest that compounds 9-22 showed in vitro marked antibacterial activity. Compounds 4c and 7a showed inhibitory effect against RNA dependent RNA polymerase induced poliovirus type 2 infected HeLa cells. (c) 2005 Elsevier Ltd. All rights reserved.
• Tandon, V. K.; Vaish, Meenu; Khan, Z. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 4, p. 445 - 448
  作者：Tandon, V. K.、Vaish, Meenu、Khan, Z. K.

  DOI：——

  日期：——
• ——
  作者：Miguel A. Mendez-Rojas、Satish G. Bodige、Krzysztof Ejsmont、William H. Watson

  DOI：10.1023/a:1013722518076

  日期：——

  A series of organosulfur compounds was characterized by NMR, IR, mass spectroscopy, cyclic voltammetry, and chemical analyses. The crystal structures of six compounds were determined: 1,3-dithioleno[4,5-e]naphtho[2,3-b]1,4-dithiin-2,5, 10-trione (1b), P (1) over bar, a = 7.665(4), b = 7.997(4), c =11.443(5) Angstrom, alpha = 91.311(8), beta = 92.516(8), gamma = 117.53(7)degrees; 6,7-dimethylbenzo[1,2-b]1,3-dithioleno[4,5-e]1,4-dithiin-2,5,8-trione (2b), P2(1)/m; a = 3.933(1), b = 12.864(2), c = 11.943(3) Angstrom, beta = 99.161(4)degrees; 6-phenyl-2-thioxo-6-hydrocyclopenta[2,1-b]1,3-dithioleno[4,5-e]1,4-dithiin-5,7-dione (3a), C2/c, a = 32.408(6), b = 3.8743(8), c = 27.123(5) Angstrom, beta = 125.171(7)degrees; 6-phenyl-1,3-dithioleno[4,5-e]3-pyrrolino[3,4-b]1,4-dithiin-5,7-trione (3b); P2(1)/n, a = 7.9712(9), b = 6.1976(7), c = 55.978(6) Angstrom, beta = 91.096(1)degrees; 2,3,7,8-tetramethyl-thianthrene-1,4,6,9-tetraone (4), P2(1)/c, a = 4.195(1); b = 17.924(5), c = 9.682(3) Angstrom, beta = 98.509(5)degrees; 3H,6H-1,4-oxathiino[6',5'-2,1]naphtho[3,4-e]1,4-oxathiin-2,7-dione (5), P2(1)/n, a = 9.3522(7), b = 7.8782(6), c = 17.118(1) Angstrom, beta = 93.171(1)degrees. Several structures exhibited significant S-S intermolecular interactions, suggesting that the molecules might be precursors for preparing nonmetallic conductors.
• 228. Quinones. Part II. The addition of mercapto-acids to benzoquinones and 1 : 4-naphthaquinone
  作者：A. Blackhall、R. H. Thomson

  DOI：10.1039/jr9530001138

  日期：——