1,3,5-tri-tert-butyl-2,4,6-trifluoroborazine | 15197-25-8

• 分子结构分类: 有机化合物
• 英文名称: 1,3,5-tri-tert-butyl-2,4,6-trifluoroborazine
• 英文别名: 1,3,5-Tri-tert.-butyl-2,4,6-trifluor-borazin；(BFN(t-C4H9))3；1,3,5-trifluoro-2,4,6-tri-tert-butylborazine；1,3,5-Trifluor-2,4,6-tri-tert-butylborazin；1,3,5-Tritert-butyl-2,4,6-trifluoro-1,3,5,2,4,6-triazatriborinane
• CAS: 15197-25-8
• 化学式: C₁₂H₂₇B₃F₃N₃
• 分子量: 302.795
• InChiKey: AQTYKCJZKPTTPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3,5-tri-tert-butyl-2,4,6-trifluoroborazine 、 八甲基环四硅氮烷 在 n-BuLi 作用下， 以 petroleum ether 为溶剂， 以70%的产率得到1,3-bis[(3',5'-difluoro-2',4',6'-tri-tert-butylborazinyl)aminodimethylsilyl]-2,2,4,4-tetramethylcyclodisilazane
  参考文献：
  名称：

  Kopplung von Cyclosilazanen mit Aminofluorboranen und Borazinen

  摘要：

  1-Fluorodimethylsilyl-2,2,4,4,6,6-hexamethylcyclotrisilazane reacts with n-BuLi to give the 1-fluorodimethylsilyl-3-lithi- um-2,2,4,4,6,6-hexamethylcyclotrisilazane (1). Starting with F2B-N(CHMe2)(2) and 1 1-diisopropylamino-fluoroboryl-3-fluorodimethylsilyl- and 1,3-bis(diisopropylamino-fluoroboryl)-5-fluorodimethylsilyl-2,2,4,4,6,6-hexamethylcyclotrisilazanes 2 und 3 are formed. 1,3-Bis- and 1,3,5-tris(diisopropylamino-fluoroboryl)2,2,4,4,6,6 -hexamethylcyclotrisilazanes 4 and 5 are the products from F2BN(CHMe2)2 and di- or trilithiated (Me2Si-NH)(3). The dilithium salt of the eight-membered ring (Me2Si-NH)4 reacts with F2B-NR,R'(6: R,R' = CHMe2,7: R = Me, R' = 2,6-C6H3 (CHMe2)(2)) with retention of the ring size to give 1,5-bis(amino-fluoroboryl)-2,2,4,4,6,6,8,8-octamethylcyclotetrasilazanes 6 and 7. Coupling of cyclosilazanes and borazines occurs in the reaction of lithiated cyclotrisilazane and (FB-NR)(3) in a molar ratio 1:1 (8, 9), 2:1 (11, 12), 3:1 (13) and 1:3 (14); Me2Si(NH-SiMe2)(2)N-B(NR-BF)(2)NR (8, 9); [Me2Si(NH-SiMe2)(2)N](2)(BNR)(2)BFNR (11, 12); [Me2Si(NH-SiMe2)(2)N](3)(BNR)(3) (13); (Me2Si-N)(3) (B(NR-BF)(2)NR)(3) (14); (R = Me: 8, 11, 13); (R = Et: 9, 12, 14); 8 reacts with n-BuLi under substitution of the fluorine by n-C4H9 (10). The isomerization of the cyclotri- to the cyclodisilazane in the reaction of the dilithiated (Si-N)(3) ring with 2 (Me3CN-BF)(3) has kinetical reasons. Me3CN(BF-NCMe3)(2)B-NHSiMe2-(N-SiMe2)(2)- B(CMe3N-BF)(2)NCMe3 (15) is formed. Mono- and dilithiated (Me2Si-NH)(4) reacts with (FB-NEt)(3) in a molar ratio 1:1 and 1:2 to give the exptected mono- and disubstituted cyclotetrasilazanes, the isomeric cyclodisilazane, [Me3CN(BF-NCMe3)(2)B-NHSiMe2-N-SiMe2](2) (18) is obtained in the reaction with (Me3CN-BF)(3) in a molar ratio 1:2. Lithium-bis(trimethylsilyl)amide substitutes successively at the (FB-NEt)(3) one or two fluorine atoms. EtN(BF-NEt)(2)B-N(SiMe3)(2) (19) and FB(NEt-B)(2)[N(SiMe3)(2)](2)NEt (20) are formed. 20 reacts with (Me3Si)(2)NH to give Me3SiF and bis(3,5-bis(bis(trimethylsilyl)amino-2,4,6-triethyl)borazinyl)amine (21); [EtN(B-N(SiMe3)(2)NEt)(2)B](2)NH. The crystal structures of 1, 3, 6, 12 - 15, 18 and 21 are reported.

  DOI：

  10.1002/1521-3749(200209)628:9/10<2071::aid-zaac2071>3.0.co;2-k
• 作为产物：
  描述：

  三氟化硼 、 叔丁胺 生成 1,3,5-tri-tert-butyl-2,4,6-trifluoroborazine
  参考文献：
  名称：

  Dehydrofluorination of amine-metalloid fluorides. III. The dehydrofluorination of primary amine-boron trifluoride adducts

  摘要：

  DOI：

  10.1021/ic50076a013

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.4, 13.3.3, page 333 - 344
  作者：

  DOI：——

  日期：——
• Franz, Thomas; Hanecker, Elisabeth; Noeth, Heinrich, Chemische Berichte, 1986, vol. 119, # 3, p. 900 - 916
  作者：Franz, Thomas、Hanecker, Elisabeth、Noeth, Heinrich、Stoecker, Walter、Storch, Wolfgang、Winter, Gerhard

  DOI：——

  日期：——
• Helmold, Nina; Jaschke, Bettina; Klingebiel, Uwe, Phosphorus, Sulfur and Silicon and the Related Elements, 2001, vol. 168-169, p. 245 - 248
  作者：Helmold, Nina、Jaschke, Bettina、Klingebiel, Uwe

  DOI：——

  日期：——
• FRANZ, TH.;HANECKER, E.;NOETH, H.;STOECKER, W.;STORCH, W.;WINTER, G., CHEM. BER., 1986, 119, N 3, 900-916
  作者：FRANZ, TH.、HANECKER, E.、NOETH, H.、STOECKER, W.、STORCH, W.、WINTER, G.

  DOI：——

  日期：——