Propanol, 3,3,3-trichloro-2-methyl-

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Propanol, 3,3,3-trichloro-2-methyl-
• 英文别名: 3,3,3-trichloro-2-methylpropan-1-ol
• 化学式: C₄H₇Cl₃O
• 分子量: 177.458
• InChiKey: JQQYPQBEPCDDEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  氧代[二(三氟甲基)]铵 、 Propanol, 3,3,3-trichloro-2-methyl- 生成 N,N-双(三氟甲基)羟胺 、 1,3-Bis-1,1,2-trichloro-2-methylpropane 、 1,2-Bis-1,1,3-trichloro-2-methylpropane 、 1,2-Bis-3,3,3-trichloro-2-methylpropane
  参考文献：
  名称：

  The reactions of bis(trifluoromethyl)amino-oxyl and perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane) with 3,3,3-trichloropropene and 3,3,3-trichloro-2-methylpropene

  摘要：

  Reaction of the oxyl (CF3)2NO. (1) with 3,3,3-trichloropropene (2) at c. 20-degrees-C afforded the 2:1 adduct (CF3)2NOCH2CH(CCl3)ON(CF3)2 (5) (97%) and the rearranged 2:1 adduct (CF3)2NOCH2CHClCCl2ON(CF3)2 (6) (2.5%); at 75-degrees-C the same products were formed in the ratio 15:77. With 3,3,3-trichloro-2-methylpropene (4) and oxyl 1 at 20-degrees-C, rearrangement was more favoured and the products were (CF3)2NOCH2CMe(CCl3)ON(CF3)2 (7) (56%) and (CF3)2NOCH2CMeClCCl2ON(CF3)2 (8) (28%), together with (CF3)2NOCCl2CMe(CH2Cl)ON(CF3)2 (9) (9%) [arising from the alkene CCl2=CMeCH2Cl (c. 10%) present in the reactant olefin]. From the corresponding reactions with the oxadiazapentane (CF3)2NON(CF3)2 (3) at c. 20-degrees-C, only rearranged products were isolated, i.e. (CF3)2NCH2ChClCCl2ON(CF3/2 (10) (93%) and (CF3)2NCH2CMeClCCl2ON(CF3)2 (11) (57%)+ (CF3)2NOCCl2CMeClCH2Cl (12) (11.5%).

  DOI：

  10.1016/0022-1139(93)02949-f

表征谱图