7-苯基庚-6-炔-1-胺 | 154188-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 7-苯基庚-6-炔-1-胺
• 英文名称: 7-phenylhept-6-yn-1-amine
• CAS: 154188-72-4
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: DRUUQGWTYJNWCS-UHFFFAOYSA-N

物化性质

• 沸点：
  309.9±25.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-苯基庚-6-炔-1-胺 在 十二羰基三钌 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 4.0h， 以21%的产率得到2-benzyl-1-azacycloheptene
  参考文献：
  名称：

  Ruthenium-catalyzed intramolecular hydroamination of aminoalkynes

  摘要：

  Low-valent ruthenium complexes with a pi -acidic ligand, such as Ru(eta (6)-cot)(dmfm)(2) [cot = 1,3,5-cyclooctatriene, dmfm = dimethyl fumarate] and Ru-3(CO)(12), showed high catalytic activity for the intramolecular hydroamination of aminoalkynes. The reaction is highly regioselective, in which a nitrogen atom is selectively attached to an internal carbon of alkynes to give five-, six-, and seven-membered nitrogen heterocycles as well as indoles in good to high yields. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00869-x
• 作为产物：
  描述：

  (7-bromohept-1-yn-1-yl)benzene 在 一水合肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 7-苯基庚-6-炔-1-胺
  参考文献：
  名称：

  有机镧系元素催化的氨基炔烃的分子内加氢胺化/环化

  摘要：

  该贡献报告了高效且区域特异性的 Cp'2LnCH(SiMe3)2 (Ln = La, Nd, Sm, Lu; Cp' = η5-Me5C5)- 和 Me2SiCp''2LnCH(SiMe3)2 (Ln = Nd, Sm; Cp '' = η5-Me4C5)-催化加氢胺化/环化式RC⋮C(CH2)nNH2的脂肪族和芳香族氨基炔，生成相应的环状亚胺RCH2CN(CH2)n-1CH2，其中R、n、Nt h-1 (°C) = Ph, 3, 77 (21°C)；Ph, 3, 2830 (60 °C); 我, 3, 96 (21 °C); CH2CMeCH2, 3, 20 (21 °C); H, 3, 580 (21 °C); Ph, 4, 4 (21 °C); Ph, 4, 328 (60 °C); Ph, 5, 0.11 (60 °C); 和SiMe3, 3, >7600 (21 °C)，以及式R

  DOI：

  10.1021/ja9612413

文献信息

• Facile one-pot synthesis of 2,3-dihydro-1H-indolizinium derivatives by rhodium(<scp>iii</scp>)-catalyzed intramolecular oxidative annulation via C–H activation: application to ficuseptine synthesis
  作者：Nitinkumar Satyadev Upadhyay、Jayachandran Jayakumar、Chien-Hong Cheng

  DOI：10.1039/c7cc00008a

  日期：——

  Various substituted indolizidinium, quinolizinium and pyrido[1,2-a]azepinium salts were synthesized from benzaldehydes (α,β-unsaturated aldehydes) and alkyne–amines via Rh-catalyzed C–H activation.

  从苯甲醛（α，β-不饱和醛）和炔基胺通过Rh催化的C-H活化合成了各种取代的吲哚啉盐、喹啉盐和吡啶[1,2-a]氮杂环己盐。
• Organolanthanide-Catalyzed Intramolecular Hydroamination/Cyclization of Aminoalkynes
  作者：Yanwu Li、Tobin J. Marks

  DOI：10.1021/ja9612413

  日期：1996.1.1

  This contribution reports the efficient and regiospecific Cp‘2LnCH(SiMe3)2 (Ln = La, Nd, Sm, Lu; Cp‘ = η5-Me5C5)- and Me2SiCp‘‘2LnCH(SiMe3)2 (Ln = Nd, Sm; Cp‘‘ = η5-Me4C5)-catalyzed hydroamination/cyclization of aliphatic and aromatic aminoalkynes of the formula RC⋮C(CH2)nNH2 to yield the corresponding cyclic imines RCH2CN(CH2)n-1CH2, where R, n, Nt h-1 (°C) = Ph, 3, 77 (21 °C); Ph, 3, 2830 (60 °C); Me

  该贡献报告了高效且区域特异性的 Cp'2LnCH(SiMe3)2 (Ln = La, Nd, Sm, Lu; Cp' = η5-Me5C5)- 和 Me2SiCp''2LnCH(SiMe3)2 (Ln = Nd, Sm; Cp '' = η5-Me4C5)-催化加氢胺化/环化式RC⋮C(CH2)nNH2的脂肪族和芳香族氨基炔，生成相应的环状亚胺RCH2CN(CH2)n-1CH2，其中R、n、Nt h-1 (°C) = Ph, 3, 77 (21°C)；Ph, 3, 2830 (60 °C); 我, 3, 96 (21 °C); CH2CMeCH2, 3, 20 (21 °C); H, 3, 580 (21 °C); Ph, 4, 4 (21 °C); Ph, 4, 328 (60 °C); Ph, 5, 0.11 (60 °C); 和SiMe3, 3, >7600 (21 °C)，以及式R
• Ruthenium-catalyzed intramolecular hydroamination of aminoalkynes
  作者：Teruyuki Kondo、Takumi Okada、Toshiaki Suzuki、Take-aki Mitsudo

  DOI：10.1016/s0022-328x(00)00869-x

  日期：2001.3

  Low-valent ruthenium complexes with a pi -acidic ligand, such as Ru(eta (6)-cot)(dmfm)(2) [cot = 1,3,5-cyclooctatriene, dmfm = dimethyl fumarate] and Ru-3(CO)(12), showed high catalytic activity for the intramolecular hydroamination of aminoalkynes. The reaction is highly regioselective, in which a nitrogen atom is selectively attached to an internal carbon of alkynes to give five-, six-, and seven-membered nitrogen heterocycles as well as indoles in good to high yields. (C) 2001 Elsevier Science B.V. All rights reserved.