3,4-dihydro-2-(phenylmethyl)-1,2-benzothiazepin-5(2H)-one 1,1-dioxide | 958741-34-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-dihydro-2-(phenylmethyl)-1,2-benzothiazepin-5(2H)-one 1,1-dioxide
• 英文别名: 2-Benzyl-1,1-diketo-3,4-dihydro-1,2-benzothiazepin-5-one；2-benzyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazepin-5-one
• CAS: 958741-34-9
• 化学式: C₁₆H₁₅NO₃S
• 分子量: 301.366
• InChiKey: GKJYNLWSBFLPRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-2-(phenylmethyl)-1,2-benzothiazepin-5(2H)-one 1,1-dioxide 、 苯甲醛 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以80%的产率得到2-benzyl-4-benzylidene-3,4-dihydrobenzo[f][1,2]thiazepin-5(2H)-one 1,1-dioxide
  参考文献：
  名称：

  α-Haloarylsulfonamides: multiple cyclization pathways to skeletally diverse benzofused sultams

  摘要：

  The development of new methods to skeletally diverse sultams based oil a central alpha-halo benzene sulfonamide building block is reported. Several salient features of this building block are Utilized ill multiple reaction pathways, including the Fleck reaction, C- and O-arylation, Sonogashira-Pauson-Khand, Sonogashira-intramolecular hydroamination, and domino aza-Michael-Heck for the generation of five-, six-, and seven-membered benzofused bicyclic and tricyclic sultams. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.11.053
• 作为产物：
  描述：

  2,3,4,5-tetrahydro-5-methylene-2-(phenylmethyl)-1,2-benzothiazepine 1,1-dioxide 在 臭氧 、 苏丹红 、 二甲基硫 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以78%的产率得到3,4-dihydro-2-(phenylmethyl)-1,2-benzothiazepin-5(2H)-one 1,1-dioxide
  参考文献：
  名称：

  α-Haloarylsulfonamides: multiple cyclization pathways to skeletally diverse benzofused sultams

  摘要：

  The development of new methods to skeletally diverse sultams based oil a central alpha-halo benzene sulfonamide building block is reported. Several salient features of this building block are Utilized ill multiple reaction pathways, including the Fleck reaction, C- and O-arylation, Sonogashira-Pauson-Khand, Sonogashira-intramolecular hydroamination, and domino aza-Michael-Heck for the generation of five-, six-, and seven-membered benzofused bicyclic and tricyclic sultams. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.11.053

文献信息

• α-Haloarylsulfonamides: multiple cyclization pathways to skeletally diverse benzofused sultams
  作者：Dinesh Kumar Rayabarapu、Aihua Zhou、Kyu Ok Jeon、Thiwanka Samarakoon、Alan Rolfe、Hina Siddiqui、Paul R. Hanson

  DOI：10.1016/j.tet.2008.11.053

  日期：2009.4

  The development of new methods to skeletally diverse sultams based oil a central alpha-halo benzene sulfonamide building block is reported. Several salient features of this building block are Utilized ill multiple reaction pathways, including the Fleck reaction, C- and O-arylation, Sonogashira-Pauson-Khand, Sonogashira-intramolecular hydroamination, and domino aza-Michael-Heck for the generation of five-, six-, and seven-membered benzofused bicyclic and tricyclic sultams. (C) 2008 Elsevier Ltd. All rights reserved.