1-(4-chlorophenyl)-3-(4-chlorophenylsulfanyl)-3-phenylpropan-1-one | 284493-88-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(4-chlorophenyl)-3-(4-chlorophenylsulfanyl)-3-phenylpropan-1-one
• 英文别名: 1-(4-Chlorophenyl)-3-(4-chlorophenyl)sulfanyl-3-phenylpropan-1-one
• CAS: 284493-88-5
• 化学式: C₂₁H₁₆Cl₂OS
• 分子量: 387.329
• InChiKey: CZSWVVISSMUKHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯苯硫酚 、 4'-chlorochalcone 在 氯化锆(IV) 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到1-(4-chlorophenyl)-3-(4-chlorophenylsulfanyl)-3-phenylpropan-1-one
  参考文献：
  名称：

  Design and synthesis of 1,3-biarylsulfanyl derivatives as new anti-breast cancer agents

  摘要：

  A new series of 1,3-biarylsulfanyl derivatives (homodibenzyl core motif) have been designed and synthesized as new estrogen receptor ligands by chopping benzothiophene core of raloxifene to engender secoraloxifene scaffold. All the synthesized compounds were screened for anti-proliferative, anti-osteoporotic, and anti-implantation activity. Compounds (35, 36) having basic amino anti-estrogenic side chain were exhibiting potential anti-proliferative activity in MCF-7, MDA-MB-231 and ishikawa cell lines. Some of the synthesized compounds having homodibenzyl motif (5, 8, 10) have shown moderate anti-osteoporotic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.056

文献信息

• 10.1021/jacs.4c05905
  作者：Huang, Minghao、Li, Kunlong、Zhang, Zichen、Zhou, Jiliang

  DOI：10.1021/jacs.4c05905

  日期：——

  pinacolborane, regenerates 1. These processes unveil an unprecedented antimony redox catalysis involving Sb(I)/Sb(III) cycling for the hydroboration of organic disulfides. Elementary reaction studies and density functional theory calculations support that the catalysis mimics transition metal processes, proceeding through oxidative addition, ligand metathesis, and reductive elimination. The thiophenols and

  二亚联苯ArSb I (Ar = [2,6-( t BuN=CH) 2 -C 6 H 3 ], 1 ) 与S 2 Tol 2 (Tol = p-甲苯基) 反应生成ArSb III (STol) 2 ( 2 )，经频哪醇硼烷处理后，可再生1 .这些过程揭示了前所未有的锑氧化还原催化作用，涉及有机二硫化物硼氢化的 Sb(I)/Sb(III) 循环。基本反应研究和密度泛函理论计算支持催化模拟过渡金属过程，通过氧化加成、配体复分解和还原消除进行。二硫化物硼氢化生成的苯硫酚和硫代硼酸盐在1作为碱催化剂的辅助下与α,β-不饱和羰基化合物原位反应。这些串联反应建立了β-硫代羰基化合物的一锅合成方法，其中二亚联烯先后充当氧化还原催化剂和碱催化剂，说明了锑催化在有机合成中的多功能性和效率。
• Design and synthesis of 1,3-biarylsulfanyl derivatives as new anti-breast cancer agents
  作者：Atul Kumar、Vishwa Deepak Tripathi、Promod Kumar、Lalit Prakash Gupta、Akanksha、Ritu Trivedi、Hemant Bid、V.L. Nayak、Jawed A. Siddiqui、Bandana Chakravarti、Ruchi Saxena、Anila Dwivedi、M.I. Siddiquee、U. Siddiqui、Rituraj Konwar、Naibedya Chattopadhyay

  DOI：10.1016/j.bmc.2011.07.056

  日期：2011.9

  A new series of 1,3-biarylsulfanyl derivatives (homodibenzyl core motif) have been designed and synthesized as new estrogen receptor ligands by chopping benzothiophene core of raloxifene to engender secoraloxifene scaffold. All the synthesized compounds were screened for anti-proliferative, anti-osteoporotic, and anti-implantation activity. Compounds (35, 36) having basic amino anti-estrogenic side chain were exhibiting potential anti-proliferative activity in MCF-7, MDA-MB-231 and ishikawa cell lines. Some of the synthesized compounds having homodibenzyl motif (5, 8, 10) have shown moderate anti-osteoporotic activity. (C) 2011 Elsevier Ltd. All rights reserved.