(S)-2-bromo-6-(4-fluorobenzyl)-6,7,7a,8,9,10-hexahydrobenzo[f]pyrrolo[2,1-d][1,2,5]thiadiazepine 5,5-dioxide | 1350926-80-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (S)-2-bromo-6-(4-fluorobenzyl)-6,7,7a,8,9,10-hexahydrobenzo[f]pyrrolo[2,1-d][1,2,5]thiadiazepine 5,5-dioxide
• 英文别名: (7aS)-2-bromo-6-[(4-fluorophenyl)methyl]-7a,8,9,10-tetrahydro-7H-pyrrolo[2,1-d][1,2,5]benzothiadiazepine 5,5-dioxide
• CAS: 1350926-80-5
• 化学式: C₁₈H₁₈BrFN₂O₂S
• 分子量: 425.322
• InChiKey: LPHCGGMPXMYHSC-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (S)-4-bromo-N-(4-fluorobenzyl)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)benzenesulfonamide 在 benzyl ethyl diazene-1,2-dicarboxylate 、 三苯基膦 、 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以81%的产率得到(S)-2-bromo-6-(4-fluorobenzyl)-6,7,7a,8,9,10-hexahydrobenzo[f]pyrrolo[2,1-d][1,2,5]thiadiazepine 5,5-dioxide
  参考文献：
  名称：

  Intramolecular monomer-on-monomer (MoM) Mitsunobu cyclization for the synthesis of benzofused thiadiazepine-dioxides

  摘要：

  本研究采用降冰片烯标记（Nb-tagged）试剂，利用单体对单体（MoM）分子内 Mitsunobu 环化反应合成苯并二氮杂卓-二氧杂环。通过以下三种元合成催化剂方法中的一种：(i) 游离元合成催化剂；(ii) 表面引发的催化剂铠装二氧化硅；或 (iii) 表面引发的催化剂铠装 Co/C 磁性纳米粒子，实现了viaring-opening元合成（ROM）聚合反应的简便纯化。

  DOI：

  10.1039/c1cc14807a

文献信息

• HIGH CAPACITY MAGNETIC NANOPARTICLES AS SUPPORTS FOR REAGENTS AND CATALYSTS
  申请人：Hanson Paul Ronald

  公开号：US20120226007A1

  公开（公告）日：2012-09-06

  A magnetic particle-polymer hybrid material can include: a substance having a structure of Z-(Y-Triazole-X-(FP) n ) m , (Formula 1), wherein Z is a magnetic particle smaller than 1 mm; n and m are independently integers; Y includes an alkyl or aryl linker linked to the magnetic particle; X is a carbon or heteroatom; FP is a functionalized polymer having: a first norbornenyl reaction product linked to the magnetic particle through the Y-Triazole-X linker; and one or more monomers each including a second norbornenyl reaction product, where one of the monomers is linked to the first norbornenyl reaction product, each monomer include a functional group capable of binding with another substance.
• MAGNETIC PARTICLE-POLYMER HYBRID MATERIALS WITH FUNCTIONALIZED POLYMERS DERIVED FROM NORBORNENYL REAGENTS
  申请人：Hanson Paul Ronald

  公开号：US20150175725A1

  公开（公告）日：2015-06-25

  A magnetic particle-polymer hybrid material can include: a substance having a structure of Formula 1 or derivative or salt thereof: Z(L-FP) m (Formula 1), wherein: Z is a magnetic particle smaller than 1 mm; m is a positive integer and defines the number of (L-FP) coupled to the Z; L is a linker linked to the magnetic particle; FP is a functionalized polymer having: a first structure derived from a first norbornene compound linked to the magnetic particle through the L; and one or more monomeric units each including a second structure derived from a second norbornene compound, where one of the monomeric units is linked to the first structure through a saturated or unsaturated alkyl, each monomeric unit includes a functional group capable of binding with another substance.
• US9035003B2
  申请人：——

  公开号：US9035003B2

  公开（公告）日：2015-05-19
• US9556294B2
  申请人：——

  公开号：US9556294B2

  公开（公告）日：2017-01-31
• Intramolecular monomer-on-monomer (MoM) Mitsunobu cyclization for the synthesis of benzofused thiadiazepine-dioxides
  作者：Pradip K. Maity、Quirin M. Kainz、Saqib Faisal、Alan Rolfe、Thiwanka. B. Samarakoon、Fatima Z. Basha、Oliver Reiser、Paul R. Hanson

  DOI：10.1039/c1cc14807a

  日期：——

  The utilization of a monomer-on-monomer (MoM) intramolecular Mitsunobu cyclization reaction employing norbornenyl-tagged (Nb-tagged) reagents is reported for the synthesis of benzofused thiadiazepine-dioxides. Facile purification was achieved viaring-opening metathesis (ROM) polymerization initiated by one of three metathesis catalyst methods: (i) free metathesis catalyst, (ii) surface-initiated catalyst-armed silica, or (iii) surface-initiated catalyst-armed Co/C magnetic nanoparticles.

  本研究采用降冰片烯标记（Nb-tagged）试剂，利用单体对单体（MoM）分子内 Mitsunobu 环化反应合成苯并二氮杂卓-二氧杂环。通过以下三种元合成催化剂方法中的一种：(i) 游离元合成催化剂；(ii) 表面引发的催化剂铠装二氧化硅；或 (iii) 表面引发的催化剂铠装 Co/C 磁性纳米粒子，实现了viaring-opening元合成（ROM）聚合反应的简便纯化。