1-tert-Butyl-2,1-benzisoxazolinium perchlorate | 31562-01-3

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1-tert-Butyl-2,1-benzisoxazolinium perchlorate
• 英文别名: 1-tert-butyl-2,1-benzisoxazolium perchlorate；N-tert-Butylanthranilium perchlorate；1-tert-butyl-benzo[c]isoxazolium; perchlorate；1-tert-Butyl-2,1-benzoxazol-1-ium perchlorate；1-tert-butyl-2,1-benzoxazol-1-ium;perchlorate
• CAS: 31562-01-3
• 化学式: C₁₁H₁₄NO*ClO₄
• 分子量: 275.689
• InChiKey: OHXJTNBJVOFNIB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.28
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-tert-Butyl-2,1-benzisoxazolinium perchlorate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到N-tert-Butylbenzoazetinone
  参考文献：
  名称：

  Synthesis, stability, structure, reactivity, and chemistry of N-alkylbenzoazetinones

  摘要：

  DOI：

  10.1021/jo00192a023
• 作为产物：
  描述：

  邻硝基苯甲醛 在 tin 、 溶剂黄146 作用下， 生成 1-tert-Butyl-2,1-benzisoxazolinium perchlorate
  参考文献：
  名称：

  The elimination of masses 27 and 28 from the [MOH]+ ion of 2-nitrotoluene

  摘要：

  AbstractThe expulsion of neutral fragments of masses 27 and 28 from metastable [M  OH]+ ions derived from 2‐nitrotoluene has been observed. The relative abundances of the resulting fragment ions, together with the kinetic energy released in each process, has been compared with similar fragmentation of [C7H6NO]+ ions derived from other precursor molecules. In this way, the nature of the neutral fragments and the structure of the [M  OH]+ ions from 2‐nitrotoluene has been investigated. The most likely structure is the 1,2‐benzisoxazolenium cation although the coexistence of other structures cannot be ruled out on the present evidence.

  DOI：

  10.1002/oms.1210190703

文献信息

• Reactions of carbene intermediates from the reaction of trialkyl phosphites with dialkyl benzoylphosphonates: preparation and reactions of dimethyl 2-(N-tert-butyl-N-methylamino) benzoylphosphonate and dimethyl 2-(methylamino)benzoylphosphonate
  作者：D. Vaughan Griffiths、Jayne E. Harris、Belinda J. Whitehead

  DOI：10.1039/a701147d

  日期：——

  Dimethyl 2-(methylamino)benzoylphosphonate has been prepared by the thermal decomposition of dimethyl 2-(N-tert-butyl-N-methylamino) benzoylphosphonate formed by the action of triethylamine on 1-tert-butyl-3-(dimethoxyphosphinyl)-1-methyl-2,1- benzisoxazolinium hexafluorophosphate. The reactions of both benzoylphosphonates with trimethyl phosphite proceed via carbene intermediates 4 to initially give ylidic phosphonates 5, which for 5 (X = 2-MeNH) undergoes cyclisation and rearrangement to give the novel 2-oxophosphorindoline 11.

  2-(甲基氨基)苯甲酰膦酸二甲酯是由三乙胺作用于 1-叔丁基-3-(二甲氧基膦酰基)-1-甲基-2,1-苯并异噁唑啉鎓六氟磷酸盐而形成的 2-(N-叔丁基-N-甲基氨基)苯甲酰膦酸二甲酯经热分解制备而成。这两种苯甲酰基膦酸盐与亚磷酸三甲酯的反应都是通过碳烯中间体 4 进行的，最初得到亚甲基膦酸盐 5，对于 5（X = 2-MeNH）来说，经过环化和重排，得到新型 2-氧代磷吲哚啉 11。
• Reactions of anthranilium salts with nucleophiles: adduct formation and rearrangement
  作者：Robert K. Vander Meer、R. A. Olofson

  DOI：10.1021/jo00192a024

  日期：1984.9
• Reactions of anthranilium salts with bases. Isolation of N-tert-butylbenzoazetinone
  作者：Roy A. Olofson、Robert K. Vander Meer、Stamoulis Stournas

  DOI：10.1021/ja00735a062

  日期：1971.3
• VANDER, MEER, R. K.;OLOFSON, R. A., J. ORG. CHEM., 1984, 49, 3373-3377
  作者：VANDER, MEER, R. K.、OLOFSON, R. A.

  DOI：——

  日期：——
• OLOFSON, R. A.;VANDER, MEER, R. K.;HOSKIN, D. H.;BERNHEIM, M. Y.;STOURNAS+, J. ORG. CHEM., 1984, 49, N 18, 3367-3372
  作者：OLOFSON, R. A.、VANDER, MEER, R. K.、HOSKIN, D. H.、BERNHEIM, M. Y.、STOURNAS+

  DOI：——

  日期：——