2-chloro-10,10-dioxo-10λ⁶-thioxanthen-9-one | 62985-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 2-chloro-10,10-dioxo-10λ⁶-thioxanthen-9-one
• 英文别名: 2-Chlor-10,10-dioxo-10λ⁶-thioxanthen-9-on；2-chloro-9H-thioxanthen-9-one, 10,10-dioxide；2-Chloro-10,10-dioxothioxanthen-9-one
• CAS: 62985-56-2
• 化学式: C₁₃H₇ClO₃S
• 分子量: 278.716
• InChiKey: JOFQZUGLDYJBCE-UHFFFAOYSA-N

物化性质

• 熔点：
  230 °C
• 沸点：
  500.2±49.0 °C(Predicted)
• 密度：
  1.539±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-10,10-dioxo-10λ⁶-thioxanthen-9-one 生成 10,10-dioxo-2-(triazirin-1-yl)thioxanthen-9-one
  参考文献：
  名称：

  Harfenist Morton, Joyner Charles T., Mize Patrick D., White Helen L., J. Med. Chem, 37 (1994) N 13, S 2085-2089

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine hydrochloride 在 potassium permanganate 、 pH<3) 作用下， 以 水 为溶剂， 生成 2-chloro-10,10-dioxo-10λ⁶-thioxanthen-9-one
  参考文献：
  名称：

  Oxidation of chlorprothixene with potassium permanganate

  摘要：

  DOI：

  10.1111/j.2042-7158.1980.tb12988.x

文献信息

• Light-curable dentin and enamel adhesive
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0132318A1

  公开（公告）日：1985-01-30

  Light-curable dentin and enamel adhesives comprising phosphorus-containing polymerizable monomer, sulfur compound having sulfur in the +2 or +4 oxidation state, selected photoinitiators, and an optional peroxide compound, as well as one-step and two-step curing methods.

  光固化牙本质和珐琅质粘合剂，包括含磷可聚合单体、具有+2或+4氧化态硫的硫化合物、选定的光引发剂和任选的过氧化物化合物，以及一步法和两步法固化方法。
• Ullmann; Lehner, Chemische Berichte, 1905, vol. 38, p. 735
  作者：Ullmann、Lehner

  DOI：——

  日期：——
• Mahishi et al., Journal of the Karnatak University, 1957, vol. 2, p. 50,57
  作者：Mahishi et al.

  DOI：——

  日期：——
• Orientation in the 10-Thiaxanthenone¹ Nucleus
  作者：HENRY GILMAN、JUSTIN W. DIEHL

  DOI：10.1021/jo01094a023

  日期：1959.12
• Selective Inhibitors of Monoamine Oxidase. 2. Arylamide SAR
  作者：Morton Harfenist、Charles T. Joyner、Patrick D. Mize、Helen L. White

  DOI：10.1021/jm00039a021

  日期：1994.6

  Monoamine oxidase (MAO) exists in two forms distinguishable by substrate specificity. Inhibition of MAO A is believed to be responsible for the antidepressant activity of MAO inhibitors. A group of N-arylacetamides are highly specific inhibitors of MAO A, some with IC50 values in the 10-100 nM range. The requirements for high activity and specificity include a nearly linear tricyclic aromatic portion but a larger and a smaller central ring component. The amide group, which is best acetamido, is optimally placed para to the smaller central group. The size and shape of the aromatic moiety appear to be the major influence on activity and specificity for MAO A.