1-(o-hydroksy)tiobenzoilopiperydyna | 2032-48-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(o-hydroksy)tiobenzoilopiperydyna
• 英文别名: o-Hydroxythiobenzoesaeure-piperidid；1-(2-hydroxythiobenzoyl)piperidine；N-(2-hydroxythiobenzoyl)piperidine；o-hydroxythiobenzopiperide；1-(2-hydroxy-thiobenzoyl)-piperidine；1-(2-Hydroxy-thiobenzoyl)-piperidin；N-Piperidinylthiosalicylamide；(2-hydroxyphenyl)-piperidin-1-ylmethanethione
• CAS: 2032-48-6
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: FDEJXMBAYGPUFC-UHFFFAOYSA-N

物化性质

• 熔点：
  150 °C
• 沸点：
  348.1±44.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(o-hydroksy)tiobenzoilopiperydyna 在 水 作用下， 以 1,4-二氧六环 、 乙醚 为溶剂， 反应 2.25h， 生成 2-(2-Hydroxyphenyl)-5-phenyl-1,3-dithiolylium-4-olat
  参考文献：
  名称：

  Gotthardt, Hans; Huss, Otmar M., Liebigs Annalen der Chemie, 1981, # 3, p. 347 - 353

  摘要：

  DOI：
• 作为产物：
  描述：

  2-[methylsulfanyl(piperidin-1-ium-1-ylidene)methyl]phenol;bromide 在 水 作用下， 反应 6.0h， 生成 1-(o-hydroksy)tiobenzoilopiperydyna
  参考文献：
  名称：

  Santus; Soltysiak; Smolinski, Acta poloniae pharmaceutica, 1993, vol. 50, # 2-3, p. 189 - 193

  摘要：

  DOI：

文献信息

• Syntheses and antitumor activities of N′1,N′3-dialkyl-N′1,N′3-di-(alkylcarbonothioyl) malonohydrazide: The discovery of elesclomol
  作者：Shoujun Chen、Lijun Sun、Keizo Koya、Noriaki Tatsuta、Zhiqiang Xia、Timothy Korbut、Zhenjian Du、Jim Wu、Guiqing Liang、Jun Jiang、Mitsunori Ono、Dan Zhou、Andrew Sonderfan

  DOI：10.1016/j.bmcl.2013.07.032

  日期：2013.9

  A series of N'(1),N'(3)-dialkyl-N'(1),N'(3)-di(alkylcarbonothioyl) malonohydrazides have been designed and synthesized as anticancer agents by targeting oxidative stress and Hsp70 induction. Structure-activity relationship (SAR) studies lead to the discovery of STA-4783 (elesclomol), a novel small molecule that has been evaluated in a number of clinical trials as an anticancer agent in combination with Taxol. (C) 2013 Elsevier Ltd. All rights reserved.
• Santus, Maria, Polish Journal of Chemistry, 1980, vol. 54, # 4, p. 661 - 671
  作者：Santus, Maria

  DOI：——

  日期：——
• Infrared spectra of several thiopiperidides and thiomorpholides
  作者：Felicia Cornea、Cornelia Cercasov、Mariana Ciureanu

  DOI：10.1016/0584-8539(80)80073-0

  日期：1980.1
• Silver Ion-mediated Desulfurization of N,N-Disubstituted 2-Hydroxythiobenzamides
  作者：Isao Shibuya、Kazumasa Honda、Yasuo Gama、Masao Shimizu

  DOI：10.3987/com-01-9396

  日期：——

  Silver ion-mediated desulfurization of N-(2-hydroxythiobenzoyl)morpholine (1a) or -piperidine (1b) was used to develop a new synthetic method for heterocycles such as 1,3-benzoxazin-1-ium salts. 2-Amino-4-morpholino- and 2-amino-4-piperidino-1,3-benzoxazin-1-ium perchlorate (2a, 2b) or 2-(NN-dimethylamino)-4-morpholino- and 2-(N,N-dimethylamino)-4-piperidino-1,3-benzoxazin-1-ium perchlorate (3a, 3b) were obtained by treatment of la and 1b, respectively, with silver perchlorate in the presence of excess cyanamide or N,N-dimethylcyanamide, and the structure of 3a was confirmed by X-Ray crystallography. Desulfurization of 1 with AgOCN afforded 1,3-benzoxazin-2-ones (4). In addition, treatment of 1 with methyl cyanoacetate in the presence of silver trifluoroacetate and triethylamine gave 3-cyanochromen-2-ones (5).
• Chabrier et al., Bulletin de la Societe Chimique de France, 1950, p. 1167,1173
  作者：Chabrier et al.

  DOI：——

  日期：——