BnNHCl hydrochloride | 1374447-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: BnNHCl hydrochloride
• 英文别名: N-chloro-1-phenylmethanamine;hydrochloride
• CAS: 1374447-75-2
• 化学式: C₇H₈ClN*ClH
• 分子量: 178.061
• InChiKey: PNBNVGMGMGENNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苄胺 在 1,1'-ditetradecyl-3,3'-methylene-4-diimidazolin-2,2'-diylidene palladium(IV) tetrachloride 、 四丁基氯化铵 作用下， 以 氘代氯仿 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 以51.9%的产率得到BnNHCl hydrochloride
  参考文献：
  名称：

  Pyridine-Assisted Chlorinations and Oxidations by Palladium(IV)

  摘要：

  The reactivity of the bis-NHC complex (LPdCl4)-Cl-IV (L = kappa(2)-[R-NHCCH2NHC-R] with R = C14H29) in chlorinations and oxidations of organic substrates was considerably increased in the presence of pyridine. For alkene chlorinations, this effect was due to the in situ formation of highly reactive (LPdCl3)-Cl-IV(py)(+), which was able to transfer Cl+ to the C=C bond in a ligand-mediated process (devoid of pi complexation), which did not require py dissociation. The enhanced reactivity in the presence of pyridine also extended to the oxidation of secondary and benzylic alcohols under mild conditions in a reaction where py served as a base, broadening the known scope of reactivity for Pd-IV complexes. (LPdCl3)-Cl-IV(py)(+) could be formed from Cl-/py exchange or from the oxidation of (LPdCl)-Cl-II(py)(+) by Cl-2. Taking advantage of the enhanced reactivities that pyridine coordination imparted on both Pd-II and Pd-IV complexes allowed for the catalytic chlorination of styrene with (LPdCl4)-Cl-IV as a sacrificial oxidant, thereby establishing the principal feasibility of Pd-II/Pd-IV catalyses that obviates Pd-II activations of the substrate.

  DOI：

  10.1021/om300007w

文献信息

• [EN] AEROSOL PHARMACEUTICAL COMPOSITION CONTAINING GLYCOPYRROLATE SALT AND INDACATEROL SALT, PREPARATION METHOD THEREFOR, AND USES THEREOF<br/>[FR] COMPOSITION PHARMACEUTIQUE AÉROSOL RENFERMANT UN GLYCOPYRROLATE ET UN SEL D'INDACATÉROL, SON PROCÉDÉ DE PRÉPARATION ET SES APPLICATIONS<br/>[ZH] 一种含格隆铵盐及茚达特罗盐的气雾剂药物组合物及其制备方法与应用
  申请人：SICHUAN HAISCO PHARMACEUTICAL CO LTD

  公开号：WO2020019952A1

  公开（公告）日：2020-01-30

  一种不含推进剂的气雾剂药物组合物，其包含格隆铵可药用的盐、茚达特罗可药用的盐和水，所述药物组合物每100mL含格隆铵0.045±0.001g至0.090±0.001g、茚达特罗0.099±0.001g至0.198±0.001g；该药物组合物特别适合于借助于雾化器而将活性物质形成气雾以在气喘及COPD症状中以吸入方式施用活性剂。