5-乙氧基-3a,4,5,6,7,7alpha-六氢-4,7-甲桥-1H-茚 | 53018-26-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 5-乙氧基-3a,4,5,6,7,7alpha-六氢-4,7-甲桥-1H-茚
• 中文别名: 苯磺酰胺,N-(5-氨基-1H-1,2,4-三唑-3-基)-(9CI)
• 英文名称: ethyl tricyclodecene ether
• 英文别名: 5-Ethoxy-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene；9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
• CAS: 53018-26-1；27814-41-1
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: MFSOXQKQXQKWST-UHFFFAOYSA-N

物化性质

• 沸点：
  240.0±19.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909209000

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 5-乙氧基-3a,4,5,6,7,7alpha-六氢-4,7-甲桥-1H-茚 以 二氯甲烷 为溶剂， 反应 0.5h， 以85%的产率得到bis[μ-chloro-1η²,5η¹-(6-ethoxy-exo-5,6-dihydrodicyclopentadienyl)palladium(II)]
  参考文献：
  名称：

  Synthesis, Structures, and Norbornene Polymerization Behavior of o-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes

  摘要：

  Treatment of the pro-ligand (2-OH-3,5-(Bu2C6H2)-Bu-t)(Mes)(C3H3N2)Br+ (2a) with di[mu-chloro-2 eta(2),5 eta(1)-(6-methoxy-endo-bicyclo[2.2.1]-hept-2-enyl)palladium(II)] (1a) and K(2)CO3 in dioxane, or reaction of the pro-ligand 2a subsequently with (BuLi)-Bu-n and 1a in THF afforded the o-aryloxide-substituted NHC-ligated s, p-cycloalkenyl palladium complex 3. Similarly, treatment of the pro-ligands (2-OH-3,5-tBu(2)C(6)H(2))(R)(C3H3N2)Br+ [R = Mes (2a), Me (2b), iPr (2c), Ph (2d)] with bis[mu-chloro-1 eta(2),5 eta(1)-(6-ethoxy-exo-5,6-dihydrodicyclopentadienyl)palladium(II)] (1b) and K2CO3 in dioxane afforded the desired products 49. All these complexes were fully characterized by H-1 and C-13 NMR, high-resolution mass spectrometry (HRMS), and elemental analysis. Single-crystal X-ray diffraction analysis results further confirmed the molecular structures of 36. With methylaluminoxane (MAO) as cocatalyst, these complexes showed excellent catalytic activities up to 10(7) g of PNB (mol of Pd) (-1) h(-1) in the addition polymerization of norbornene.

  DOI：

  10.1021/om500839w
• 作为产物：
  描述：

  dicyclopentadiene 、 乙醇 以78%的产率得到
  参考文献：
  名称：

  FANGHAENEL, E.;KEITA, Y.;RADEGLIA, R.;SCHMIDT, W., J. PRAKT. CHEM., 1985, 327, N 5, 837-846

  摘要：

  DOI：

文献信息

• ISOBUTYLENE-BASED POLYMER AND METHOD FOR PRODUCING SAME
  申请人：Takashima Tsutomu

  公开号：US20120136130A1

  公开（公告）日：2012-05-31

  An isobutylene-based polymer comprising a structural unit represented by the following formula (1): and a structural unit represented by the following formula (2): wherein X represents a divalent group; Y represents a substituted or unsubstituted alicyclic group having an unsaturated bond in the ring; and n represents 0 or 1.
• US8247508B2
  申请人：——

  公开号：US8247508B2

  公开（公告）日：2012-08-21
• CN103936565
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis, Structures, and Norbornene Polymerization Behavior of <i>o</i>-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes
  作者：Liang Dang、Haibin Song、Baiquan Wang

  DOI：10.1021/om500839w

  日期：2014.12.8

  Treatment of the pro-ligand (2-OH-3,5-(Bu2C6H2)-Bu-t)(Mes)(C3H3N2)Br+ (2a) with di[mu-chloro-2 eta(2),5 eta(1)-(6-methoxy-endo-bicyclo[2.2.1]-hept-2-enyl)palladium(II)] (1a) and K(2)CO3 in dioxane, or reaction of the pro-ligand 2a subsequently with (BuLi)-Bu-n and 1a in THF afforded the o-aryloxide-substituted NHC-ligated s, p-cycloalkenyl palladium complex 3. Similarly, treatment of the pro-ligands (2-OH-3,5-tBu(2)C(6)H(2))(R)(C3H3N2)Br+ [R = Mes (2a), Me (2b), iPr (2c), Ph (2d)] with bis[mu-chloro-1 eta(2),5 eta(1)-(6-ethoxy-exo-5,6-dihydrodicyclopentadienyl)palladium(II)] (1b) and K2CO3 in dioxane afforded the desired products 49. All these complexes were fully characterized by H-1 and C-13 NMR, high-resolution mass spectrometry (HRMS), and elemental analysis. Single-crystal X-ray diffraction analysis results further confirmed the molecular structures of 36. With methylaluminoxane (MAO) as cocatalyst, these complexes showed excellent catalytic activities up to 10(7) g of PNB (mol of Pd) (-1) h(-1) in the addition polymerization of norbornene.
• FANGHAENEL, E.;KEITA, Y.;RADEGLIA, R.;SCHMIDT, W., J. PRAKT. CHEM., 1985, 327, N 5, 837-846
  作者：FANGHAENEL, E.、KEITA, Y.、RADEGLIA, R.、SCHMIDT, W.

  DOI：——

  日期：——