2-(methylthio)-4-phenylthiazole | 2104-02-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(methylthio)-4-phenylthiazole
• 英文别名: 4-(4-methoxy-phenyl)-2-methylsulfanyl-thiazole；2-methylthio-4-(p-methoxyphenyl)-thiazole；4-(4-methoxyphenyl)-2-(methylthio)thiazole；4-(4-Methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
• CAS: 2104-02-1
• 化学式: C₁₁H₁₁NOS₂
• 分子量: 237.346
• InChiKey: XWOQJWSTNVBHDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(methylthio)-4-phenylthiazole 、 间氯过氧苯甲酸 以80%的产率得到
  参考文献：
  名称：

  VERNIN G.; SIV C.; METZGER J., J. HETEROCYCL. CHEM., 1978, 15, NO 8, 1361-1366

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲硫基噻唑 、 4-(对甲氧基)苯基噻唑 在 三(三苯基膦)羰基氢化铑 、 1,3-双(二环己基磷)丙烷 作用下， 以 邻二氯苯 为溶剂， 反应 3.0h， 以66%的产率得到2-(methylthio)-4-phenylthiazole
  参考文献：
  名称：

  Rhodium-Catalyzed 2-Methylthiolation Reaction of Thiazoles/Oxazoles Using 2-(Methylthio)thiazole

  摘要：

  RhH(PPh3)(4) and 1,3-bis(dicyclohexyl)phosphinopropane (dcypp) catalyze the 2-methylthiolation of oxazoles and thiazoles using 2-(methylthio)thiazole as a thiolating reagent. The methylthio transfer reaction is under equilibrium, and various 2-methylthiolated thiazoles and oxazoles were obtained in moderate to good yields by removing thiazole under refluxing o-dichlorobenzene.

  DOI：

  10.3987/com-14-s(k)59

文献信息

• 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE
  申请人：Brown Robert

  公开号：US20090247579A1

  公开（公告）日：2009-10-01

  The present invention pertains to certain 2-[3H-thiazol-2-ylidinemethyl]pyridine compounds and analogs thereof, which, inter alia, inhibit cell proliferation, treat cancer, etc., and more specifically to compounds of the following formula, wherein R A1 , R A2 , R A3 , R A4 , R B1 , R B2 , R NA , R NB , and X − are as defined herein: The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative conditions such as cancer, etc.

  本发明涉及某些2-[3H-噻唑-2-基亚甲基]吡啶化合物及其类似物，其中包括抑制细胞增殖、治疗癌症等作用，更具体地涉及以下式的化合物，其中R A1 、R A2 、R A3 、R A4 、R B1 、R B2 、R NA 、R NB 和X − 如本文所定义： 本发明还涉及包含这种化合物的药物组合物，以及在体外和体内使用这种化合物和组合物来抑制细胞增殖，并用于治疗癌症等增生性疾病。
• US4022607A
  申请人：——

  公开号：US4022607A

  公开（公告）日：1977-05-10
• [EN] 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE<br/>[FR] 2-[3H-THIAZOL-2-YLIDINEMÉTHYL]PYRIDINES ET COMPOSÉS APPRENTÉS ET LEUR UTILISATION
  申请人：CANCER REC TECH LTD

  公开号：WO2007096618A2

  公开（公告）日：2007-08-30

  [EN] The present invention pertains to certain 2-[3H-thiazol-2-ylidinemethyl]pyridine compounds and analogs thereof, which, inter alia, inhibit cell proliferation, treat cancer, etc., and more specifically to compounds of the following formula, wherein R^A1, R^A2, R^A3, R^A4, R^B1, R^B2, RNA, RNB, and X- are as defined herein. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative conditions such as cancer, etc.
  [FR] La présente invention concerne certains composés de 2-[3H-thiazol-2-ylidineméthyl]pyridine et leurs analogues qui, entre autre, inhibent la prolifération cellulaire, traitent le cancer, etc., et plus spécifiquement, des composés de la formule suivante dans laquelle R^A1, R^A2, R^A3, R^A4, R^B1, R^B2, RNA, RNB et X- sont tels que définis dans la demande. La présente invention concerne également des compositions pharmaceutiques comprenant ces composés, et l'utilisation de ces composés et compositions, à la fois in vitro et in vivo, pour inhiber la prolifération cellulaire et traiter des états prolifératifs tels que le cancer, etc.
• Rhodium-Catalyzed 2-Methylthiolation Reaction of Thiazoles/Oxazoles Using 2-(Methylthio)thiazole
  作者：Mieko Arisawa、Masahiko Yamaguchi、Yuri Nihei

  DOI：10.3987/com-14-s(k)59

  日期：——

  RhH(PPh3)(4) and 1,3-bis(dicyclohexyl)phosphinopropane (dcypp) catalyze the 2-methylthiolation of oxazoles and thiazoles using 2-(methylthio)thiazole as a thiolating reagent. The methylthio transfer reaction is under equilibrium, and various 2-methylthiolated thiazoles and oxazoles were obtained in moderate to good yields by removing thiazole under refluxing o-dichlorobenzene.
• VERNIN G.; SIV C.; METZGER J., J. HETEROCYCL. CHEM., 1978, 15, NO 8, 1361-1366
  作者：VERNIN G.、 SIV C.、 METZGER J.

  DOI：——

  日期：——