1,7-bis(benzyloxy)-heptane | 94427-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,7-bis(benzyloxy)-heptane
• 英文别名: 7-Phenylmethoxyheptoxymethylbenzene
• CAS: 94427-23-3
• 化学式: C₂₁H₂₈O₂
• 分子量: 312.452
• InChiKey: WXGZFVZUGAXDNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  417.8±33.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,7-庚二醇 、 溴甲苯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.5h， 生成 1,7-bis(benzyloxy)-heptane
  参考文献：
  名称：

  Edelson-Averbukh, Marina; Etinger, Alexander; Mandelbaum, Asher, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 6, p. 1095 - 1105

  摘要：

  DOI：

文献信息

• Inhibition of Matrix Metalloproteinases by Hydroxamates Containing Heteroatom-Based Modifications of the P1' Group
  作者：Madhusudhan R. Gowravaram、Jeffrey S. Johnson、Daniel Delecki、Ewell R. Cook、Bruce E. Tomczuk、Arup K. Ghose、Alan M. Mathiowetz、John C. Spurlino、Byron Rubin、Douglas L. Smith、Tricia Pulvino、Robert C. Wahl

  DOI：10.1021/jm00014a010

  日期：1995.7

  In this study, structure-based drug design of matrix metalloproteinase inhibitors [human fibroblast collagenase (HFC), human fibroblast stromelysin (HFS), and human neutrophil collagenase (HNC)] was utilized in the development of potent hydroxamates which contain novel, heteroatom-based modifications of the P-1' group. A series containing a P-1' butyramide group resulted in a nanomolar potent and selective HNC inhibitor as well as a dual HFS/HNC inhibitor. Benzylic others with a four- or five-carbon methylene linker in the P-1' position also produced nanomolar potent HFS/HNC inhibition and micromolar potent HFC inhibition as expected. Surprisingly, the phenolic ethers of the same overall length as the benzylic ethers showed nanomolar potencies against HFC, as well as HFS and HNC. The potency profile of the phenolic ethers was optimized by structure-activity relationships of the phenolic group and the C-terminal amide. These inhibitors may help elucidate the in vivo roles of matrix metalloproteinases in normal and disease states.
• Monobenzylation Of 1,<i>n</i>-Diols via Dibutylstannylene Intermediates
  作者：Eugene A. Mash、Liza T. A. Kantor、Stephen C. Waller

  DOI：10.1080/00397919708006052

  日期：1997.2

  Symmetrical primary 1,n-diols, HO(CH2)(n)OH, of any chain length from n = 2-10, can be selectively monobenzylated via sequential treatment with dibutyltin oxide and benzyl bromide.
• Novel antitumor agents CI-920, PD 113 270, and PD 113 271. 3. Structure determination
  作者：Gerard C. Hokanson、James C. French

  DOI：10.1021/jo00204a007

  日期：1985.2
• Edelson-Averbukh, Marina; Etinger, Alexander; Mandelbaum, Asher, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 6, p. 1095 - 1105
  作者：Edelson-Averbukh, Marina、Etinger, Alexander、Mandelbaum, Asher

  DOI：——

  日期：——