N-triethyl-B-trifluoroborazine | 668-96-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: N-triethyl-B-trifluoroborazine
• 英文别名: N-Triethyl-B-trifluorborazol；1,3,5-Triethyl-2,4,6-trifluoro-1,3,5,2,4,6-triazatriborinane
• CAS: 668-96-2
• 化学式: C₆H₁₅B₃F₃N₃
• 分子量: 218.633
• InChiKey: OYFHYZKNXAUKQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  15
• 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：

  N-triethyl-B-trifluoroborazine 在 叔丁基锂 作用下， 以 正戊烷 为溶剂， 以89%的产率得到1,3,5-triethyl-2,4,6-tri-t-butylborazine
  参考文献：
  名称：

  B-叔丁基硼嗪和二氮杂二硼丁烷

  摘要：

  Ñ -Organyl-乙-叔丁基-环硼氮烷[-Bt-BU-NR-] 3或diazadiboretidines [-Bt-BU-NR'-] 2选自叔丁基锂的反应和相应的得到的乙-fluoroborazines。产品的环尺寸受N-取代基的空间要求控制。在加热到200℃时，B-三叔丁基-N-三异丙基硼嗪（其在溶液中表现为去甲去甲硼嗪）定量地给出相应的重氮二硼丁啶。B-二叔丁基-N-双（三甲基甲硅烷基）二氮杂二硼丁烷是由B-三氟-N（三甲基甲硅烷基）硼嗪和叔丁基锂或通过t-bu（F）BN（Sime 3）2的热解。产物通过质谱和NMR（1 H，11 B，13 C，29 Si）光谱和元素分析进行表征。

  DOI：

  10.1016/0022-328x(85)88065-7
• 作为产物：
  描述：

  Trimethylsilylaethylamino-difluorboran 生成 N-triethyl-B-trifluoroborazine
  参考文献：
  名称：

  Dehydrofluorierung und spaltung der siliciumstickstoff-bindung in bortrifluorid/silylamin-systemen

  摘要：

  DOI：

  10.1016/s0022-328x(00)80673-7

文献信息

• Reactions between alkylaminobis(trifluoromethyl)phosphines and boron trihalides
  作者：N. N. Greenwood、B. H. Robinson

  DOI：10.1039/j19680000226

  日期：——

  The reaction between alkylaminobis(trifluoromethyl)phosphines, RNH·P(CF3)2, and boron trihalides is complex and the products depend on the reaction conditions and on the nature of both the alkyl group and the boron trihalide. At low temperatures 1:1 adducts are formed but at room temperature the predominant reaction is cleavage of the N–P bond to give halogenobis(trifluoromethyl)phosphines, (CF3)2PX

  烷基氨基双（三氟甲基）膦，RNH·P（CF 3）2和三卤化硼之间的反应是复杂的，并且产物取决于反应条件以及烷基和三卤化硼两者的性质。在低温下会形成1：1的加合物，但在室温下，主要反应是裂解N–P键以生成卤代双（三氟甲基）膦，（CF 3）2 PX和烷基氨基硼–卤素化合物：在–78°： RNH·P（CF 3）2 + BX 3 = RNH·P（CF 3）2，BX 3在25°：RNH·P（CF 3）2 + BX 3＝（CF 3）2 PX + RNH·BX 2，其中R ＝ Bu t，X ＝ F或Cl。当R ＝ Me或Et时，第二反应的氨基硼产物歧化成三卤化硼加合物和相应的硼嗪：2RNH·BX 2＝ RNH 2，BX 3 +⅓（RNBX）3
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.4, 4.4.1, page 110 - 117
  作者：

  DOI：——

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

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.3, 6.5.2, page 129 - 136
  作者：

  DOI：——

  日期：——
• Kopplung von Cyclosilazanen mit Aminofluorboranen und Borazinen
  作者：Bettina Jaschke、Nina Helmold、Ilka Müller、Thomas Pape、Mathias Noltemeyer、Regine Herbst-Irmer、Uwe Klingebiel

  DOI：10.1002/1521-3749(200209)628:9/10<2071::aid-zaac2071>3.0.co;2-k

  日期：2002.9

  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.