1-(p-methylbenzoyl)pyrene | 161618-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-(p-methylbenzoyl)pyrene
• 英文别名: pyren-1-yl-p-tolyl ketone；Pyren-1-yl-p-tolyl-keton
• CAS: 161618-38-8
• 化学式: C₂₄H₁₆O
• 分子量: 320.39
• InChiKey: NLWHFEPDTIKIOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.12
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-(p-methylbenzoyl)pyrene 在 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 α-(1-pyrenyl)-p-methylbenzyl phenylacetate
  参考文献：
  名称：

  Formation of M+. ions under matrix fast atom bombardment conditions: Does charge exchange reaction occur?

  摘要：

  AbstractThe formation of molecular ions, M+., under fast atom bombardment (FAB) conditions using a liquid matrix was examined by using a new type of synthesized compounds in which preferential M+. peaks appear in their FAB spectra. The FAB spectra were compared with the corresponding mass spectra obtained by the electron impact (EI) ionization, chemical ionization (CI) and charge‐exchange ionization (CEI) methods. All of the spectra showed preferential peaks of M+. ion and a characteristic intense fragment ion peak originating from a β‐fission. The FAB spectra were similar in the fragment ions appearing in the EI spectra and were very similar in the fragmentation pattern to the CEI spectra using Ar+. and Xe+. as the reagent ions. Further, the FAB spectra did not show any doubly charged ion peaks, while the 70 eV EI spectra showed the peaks of doubly charged molecular and/or fragment ions. The isobutane CI spectra of the synthesized compounds suggested that the formation of M+. ions occurred through the CE reaction with isobutane ion, C4H10+., and the CI spectra showed a marked intense fragment ion peak originating from the β‐fission which seemed to occur characteristically in CEI processes. The results obtained suggested that the formation of M+. ions under matrix FAB conditions occurred mainly by CE reactions between the analytes M and matrix molecular ions B+. and/or fragment ions b+..

  DOI：

  10.1002/oms.1210291105
• 作为产物：
  描述：

  芘 、 对甲基苯甲酰氯 在 三氯化铝 、 苯 作用下， 生成 1-(p-methylbenzoyl)pyrene
  参考文献：
  名称：

  Scholl; Meyer; Donat, Chemische Berichte, 1937, vol. 70, p. 2180,2184

  摘要：

  DOI：

文献信息

• BENZYLATIONS AND ALLYLATIONS IN THE PRESENCE OF ZINC CHLORIDE
  作者：NG. PH. BUU-HOÏ、B. ECKERT、P. DEMERSEMAN

  DOI：10.1021/jo01370a005

  日期：1954.5
• Mono-ketones of the pyrene series and process of making the same
  申请人：ROLAND SCHOLL

  公开号：US02069683A1

  公开（公告）日：1937-02-02