(2-Hydroxymethyl-1-methyl-1H-benzo[g]indol-3-yl)-methanol | 207917-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2-Hydroxymethyl-1-methyl-1H-benzo[g]indol-3-yl)-methanol
• CAS: 207917-79-1
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: PAYRKENDERMCFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  45.39
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  环己基异氰酸酯 、 (2-Hydroxymethyl-1-methyl-1H-benzo[g]indol-3-yl)-methanol 在 dibutyltin diacetate 作用下， 以45%的产率得到[2-(cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate
  参考文献：
  名称：

  Synthesis and in vitro anticancer activity evaluation of biscarbamic esters of 2,3-bis (hydroxymethyl)-1-methyl-7- and 7,8 -substituted-benzo[g]indoles

  摘要：

  A series of various bis(hydroxymethyl) carbamate derivatives of 7-mono- and 7,8-disubstituted-1-methyl-benzo[g]indoles was prepared in order to evaluate their cytostatic and cytotoxic activities in vitro. Compounds 2a-h showed significant tumor growth inhibition activity and were more potent than the 4,5-dihydrobenzo[g]indole analogues previously described. Compound 2a was the most active in this series, showing high activity and selectivity for some human cancer cell lines in the National Cancer Institute screen. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(97)00016-5
• 作为产物：
  描述：

  1-Methyl-4,5-dihydro-1H-benzo[g]indole-2,3-dicarboxylic acid dimethyl ester 在 lithium aluminium tetrahydride 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 (2-Hydroxymethyl-1-methyl-1H-benzo[g]indol-3-yl)-methanol
  参考文献：
  名称：

  Synthesis and in vitro anticancer activity evaluation of biscarbamic esters of 2,3-bis (hydroxymethyl)-1-methyl-7- and 7,8 -substituted-benzo[g]indoles

  摘要：

  A series of various bis(hydroxymethyl) carbamate derivatives of 7-mono- and 7,8-disubstituted-1-methyl-benzo[g]indoles was prepared in order to evaluate their cytostatic and cytotoxic activities in vitro. Compounds 2a-h showed significant tumor growth inhibition activity and were more potent than the 4,5-dihydrobenzo[g]indole analogues previously described. Compound 2a was the most active in this series, showing high activity and selectivity for some human cancer cell lines in the National Cancer Institute screen. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(97)00016-5