2-[(1'-hydroxy-1'-phenyl)methyl]-5,6,7,8-tetrahydronaphthalene | 108974-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-[(1'-hydroxy-1'-phenyl)methyl]-5,6,7,8-tetrahydronaphthalene
• 英文别名: Phenyl-(5,6,7,8-tetrahydro-[2]naphthyl)-methanol；(+/-)-Hydroxy-phenyl-(5.6.7.8-tetrahydro-naphthyl-(2))-methan；phenyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
• CAS: 108974-11-4
• 化学式: C₁₇H₁₈O
• 分子量: 238.329
• InChiKey: TUJCOTOISNLJGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-[(1'-hydroxy-1'-phenyl)methyl]-5,6,7,8-tetrahydronaphthalene 在 盐酸 、 苯 作用下， 生成 6-(α-chloro-benzyl)-1,2,3,4-tetrahydro-naphthalene
  参考文献：
  名称：

  The Hyperconjugative Effect of Methylene Groups in 5-Indanylphenylchloromethane and 5,6,7,8-Tetrahydro-2-naphthylphenylchloromethane

  摘要：

  DOI：

  10.1021/ja01165a101
• 作为产物：
  描述：

  3-[(1'-hydroxy-1'-phenyl)methyl]cyclodeca-3-en-1,5-diyne 在 1,4-环己二烯 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以85%的产率得到2-[(1'-hydroxy-1'-phenyl)methyl]-5,6,7,8-tetrahydronaphthalene
  参考文献：
  名称：

  DNA Cleavage Potency, Cytotoxicity, and Mechanism of Action of a Novel Class of Enediyne Prodrugs

  摘要：

  We have discovered a novel class of (E)-3-acyloxy-4-(arylmethylidene)cyclodeca-1,5-diynes which exhibit promising enediyne-like DNA cleavage and cytotoxic activities. LC-MS analysis of the incubation mixture (pH 8.5, 37 degreesC) confirmed formation of 10-membered ring enediyne presumably via an allylic cation and suggested that the 1,4-benzenoid diradical might be one of the active species for DNA damage and cytotoxicity.

  DOI：

  10.1021/jm015588e

文献信息

• Fujimura et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 1151
  作者：Fujimura et al.

  DOI：——

  日期：——
• THE DISSOCIATION RATES OF 1,1,1,2-TETRAPHENYL-2-ARYLETHANES CONTAINING TETRALYL, NAPHTHYL, FLUORYL, AND TETRAHYDROPHENANTHRYL GROUPS
  作者：W. E. BACHMANN、C. E. BROCKWAY

  DOI：10.1021/jo01161a010

  日期：1948.5
• 407. Relationship between hyperconjugation and intramolecular configuration. Part I. The ethyl alcoholysis of some derivatives of diphenylmethyl chloride
  作者：G. Baddeley、M. Gordon

  DOI：10.1039/jr9520002190

  日期：——