Octane-1-sulfonic acid prop-2-ynylamide | 741688-54-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Octane-1-sulfonic acid prop-2-ynylamide
• 英文别名: N-Propargyl-1-octanesulfonamide；N-prop-2-ynyloctane-1-sulfonamide
• CAS: 741688-54-0
• 化学式: C₁₁H₂₁NO₂S
• 分子量: 231.359
• InChiKey: YXSVNGUXXNFYHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Octane-1-sulfonic acid prop-2-ynylamide 在 碘苯二乙酸 、 叠氮基三甲基硅烷 、 水 、 silver carbonate 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 2.08h， 生成 3-azido-3-fluoro-1-(octylsulfonyl)azetidine
  参考文献：
  名称：

  Fluorocyclization of Allyl Alcohols and Amines to Access 3-Functionalized Oxetanes and Azetidines

  摘要：

  DOI：

  10.1021/acs.orglett.1c01062
• 作为产物：
  描述：

  1-辛烷磺酰氯 、 炔丙胺 在 吡啶 作用下， 以 乙醚 为溶剂， 以52%的产率得到Octane-1-sulfonic acid prop-2-ynylamide
  参考文献：
  名称：

  Synthesis and Characterization of Poly(N-propargylsulfamides)

  摘要：

  A variety of novel N-propargylsulfamide monomers (HCequivalent toCCH(2)NHSO(2)R) with alkyl (1-4) or aryl groups (5-10) were polymerized with a Rh catalyst, (nbd)Rh+B-(C6H5)(4) (nbd = 2,5-norbornadiene), to provide polymers with moderate molecular weights (3000-15000) in good yields (above 80%). Polymerization of monomer 4 (R = -(CH2)(7)CH3) at -15 degreesC yielded a stereoregular polymer whose cis content was nearly 100%, while the cis content remained 79% at 30 degreesC. Thus, the stereoregularity of the polymer largely depended on polymerization temperature. On the other hand, polymerization solvents hardly affected stereoregularity. Copolymerization of monomer 4 and N-propargylamide monomer 11 afforded copolymers with various compositions in high yields (above 87%), and the cis contents of the resultant copolymers were located between those of the corresponding homopolymers. The presence of intramolecular hydrogen bonding between the neighboring sulfamide groups was confirmed by IR spectroscopy measured in chloroform, suggesting that these types of polymers with appropriate substitutents also have the potential to form helices under suitable conditions like poly(N-propargylamides).

  DOI：

  10.1021/ma049739+