6-Amino-1,1,1-trichloroundecane | 345261-16-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 6-Amino-1,1,1-trichloroundecane
• 英文别名: 1,1,1-Trichloroundecan-6-amine
• CAS: 345261-16-7
• 化学式: C₁₁H₂₂Cl₃N
• 分子量: 274.661
• InChiKey: HLFXBHRRPBMSET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 6-Amino-1,1,1-trichloroundecane 在 吡啶 作用下， 反应 12.0h， 以79%的产率得到6-Acetamido-1,1,1-trichloroundecane
  参考文献：
  名称：

  Polychlorinated Acetamides from the Cyanobacterium Microcoleus lyngbyaceus

  摘要：

  Several new compounds were isolated from the organic extract of the cyanobacterium Microcolcus lyngbyaceus, and their structures were determined by spectroscopic means. Polychlorinated acetamidoalkynes and alkanes were the major metabolites. 6-Acetamido-1,1,1-trichloroundccane, a positional isomer of the naturally occurring 5-acetamido-1,1,1-trichloroundecane, was synthesized in six steps from 6-decanolactone.

  DOI：

  10.1021/np000452p
• 作为产物：
  描述：

  1,5-Dibromodecane 在 lithium aluminium tetrahydride 、 sodium azide 、 potassium tert-butylate 、 甲基三辛基氯化铵 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.25h， 生成 6-Amino-1,1,1-trichloroundecane
  参考文献：
  名称：

  Polychlorinated Acetamides from the Cyanobacterium Microcoleus lyngbyaceus

  摘要：

  Several new compounds were isolated from the organic extract of the cyanobacterium Microcolcus lyngbyaceus, and their structures were determined by spectroscopic means. Polychlorinated acetamidoalkynes and alkanes were the major metabolites. 6-Acetamido-1,1,1-trichloroundccane, a positional isomer of the naturally occurring 5-acetamido-1,1,1-trichloroundecane, was synthesized in six steps from 6-decanolactone.

  DOI：

  10.1021/np000452p

文献信息

• Polychlorinated Acetamides from the Cyanobacterium <i>Microcoleus lyngbyaceus</i>
  作者：Michael A. Orsini、Lewis K. Pannell、Karen L. Erickson

  DOI：10.1021/np000452p

  日期：2001.5.1

  Several new compounds were isolated from the organic extract of the cyanobacterium Microcolcus lyngbyaceus, and their structures were determined by spectroscopic means. Polychlorinated acetamidoalkynes and alkanes were the major metabolites. 6-Acetamido-1,1,1-trichloroundccane, a positional isomer of the naturally occurring 5-acetamido-1,1,1-trichloroundecane, was synthesized in six steps from 6-decanolactone.