1,1'-(biphenyl-4,4'-diyl)bis(2,2-dihydroxyethanone) | 1094-85-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-(biphenyl-4,4'-diyl)bis(2,2-dihydroxyethanone)
• 英文别名: 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2,2-dihydroxy-ethanone)；4,4'-Bis-(α,α-dihydroxy-acetyl)-biphenyl；4,4'-Bis-glyoxyloyl-diphenyl-dihydrat；1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone
• CAS: 1094-85-5
• 化学式: C₁₆H₁₄O₆
• 分子量: 302.284
• InChiKey: DDPNUFITOMENNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1'-(biphenyl-4,4'-diyl)bis(2,2-dihydroxyethanone) 在 sodium hydrogensulfite 作用下， 生成 sodium 2,2'-(biphenyl-4,4'-diyl)bis(1-hydroxy-2-oxoethanesulfonate)
  参考文献：
  名称：

  Identification of Peptide Substrate and Small Molecule Inhibitors of Testis-Specific Serine/Threonine Kinase1 (TSSK1) By the Developed Assays

  摘要：

  In this paper, a peptide substrate (Pep8) of TSSK1 is identified. Using Pep8 as a substrate, two homogeneous and efficient assays for TSSK1 inhibitors screening have been developed, including luminescent kinase assay and LC-MS-based high-throughput assay, Two classes of compounds were identified that are able to efficiently inhibit phosphorylation catalyzed by TSSK1.

  DOI：

  10.1021/jm9002846
• 作为产物：
  描述：

  4,4'-二乙酰联苯 在 碘 作用下， 以 二甲基亚砜 为溶剂， 生成 1,1'-(biphenyl-4,4'-diyl)bis(2,2-dihydroxyethanone)
  参考文献：
  名称：

  Metal-free dual sp3 C–H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles

  摘要：

  An I-2-promoted sp(3) C-H functionalization has been developed for the synthesis of 2,5-disubstituted oxazoles from easily available methyl ketones and benzylamines without any metal and peroxide catalyst. This domino oxidative cyclization process involves the cleavage of C H bond and the formation of C-N, C-O bonds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.072

文献信息

• CAVALLINI; MASSARANI; NARDI, Farmaco, Edizione Scientifica, 1960, vol. 15, p. 503 - 520
  作者：CAVALLINI、MASSARANI、NARDI、MAURI、MAGRASSI

  DOI：——

  日期：——
• Metal-free dual sp3 C–H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles
  作者：Qing-He Gao、Zhuan Fei、Yan-Ping Zhu、Mi Lian、Feng-Cheng Jia、Mei-Cai Liu、Neng-Fang She、An-Xin Wu

  DOI：10.1016/j.tet.2012.10.072

  日期：2013.1

  An I-2-promoted sp(3) C-H functionalization has been developed for the synthesis of 2,5-disubstituted oxazoles from easily available methyl ketones and benzylamines without any metal and peroxide catalyst. This domino oxidative cyclization process involves the cleavage of C H bond and the formation of C-N, C-O bonds. (C) 2012 Elsevier Ltd. All rights reserved.
• Identification of Peptide Substrate and Small Molecule Inhibitors of Testis-Specific Serine/Threonine Kinase1 (TSSK1) By the Developed Assays
  作者：Leilei Zhang、Yu Yan、Zijie Liu、Zeper Abliz、Gang Liu

  DOI：10.1021/jm9002846

  日期：2009.7.23

  In this paper, a peptide substrate (Pep8) of TSSK1 is identified. Using Pep8 as a substrate, two homogeneous and efficient assays for TSSK1 inhibitors screening have been developed, including luminescent kinase assay and LC-MS-based high-throughput assay, Two classes of compounds were identified that are able to efficiently inhibit phosphorylation catalyzed by TSSK1.

表征谱图