| 300655-79-2

• CAS: 300655-79-2
• 化学式: C₆H₈BF₆NO₃
• 分子量: 266.936
• InChiKey: XHWHFFBPKPPLRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  在 H₂O 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Reactions of trifluorovinyl-trifluoromethylboron derivatives, structure of (F2CCF)(F3C)2B·NHMe2 and (HOOC)(F3C)2B·NHMe2

  摘要：

  Dimethylamino-bis(trifluoromethyl)borane, (F3C)(2)BNMe2 (1) reacts with 1,1,1,2-tetrafluoroethane in the presence of tBuLi to yield the dimethylamine borane (F2C=CF)(F3C)(2)B . NHMe2 (2). Compound 2 was alkylated at nitrogen with CH3I/KOH or benzyl chloride/KOH in ether to yield the amine boranes (F2C=CF)(F3C)(2)B . NMe3 (2a) or (F2C=CF)(F3C)(2)B . NMe(2)Bzl (2b). Both 2 and 2a add bromine across the C=C bond to form the respective F2BrC-CFBr derivatives 3 and 3a. A solution of 2 in CHCl3 reacts with ozone to give a 9:1 mixture of (cyclo-O-CF2-CF)(F3C)(2)B . NHMe2 (4) and (HOOC)(F3C)(2)B . NHMe2 (5), and the reaction of ozone with 2a yields a mixture of the analogous trimethylamine adducts 3b and 5a. Compound 4 further hydrolyzes to form the oxocarboxyborane (HOOC-CO)(F3C)(2)B . NHMe2 (6). The B-N bond of 2a is cleaved by either NEt3 x 3HF or NMe4F to form the fluoroborate anion [(F2C=CF)B(CF3)(2)F](-) (7). The structures of 2 and 5 have been investigated by single-crystal X-ray diffraction. The B-C bond involving the trifluorovinyl group in 2 is 1.598(3) Angstrom long, and the associated B-C-C bond angle of 134.4(2)degrees is remarkably large. The B-C linkage to the carboxy group in 5 is 1.620(2) Angstrom long. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00199-6