N-benzyl-N'-isopropyl-1,2-diaminoethane | 57857-10-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzyl-N'-isopropyl-1,2-diaminoethane
• 英文别名: N-Benzyl-N-isopropyl-aethylendiamin；N1-Benzyl-N2-isopropylethane-1,2-diamine；N-benzyl-N'-propan-2-ylethane-1,2-diamine
• CAS: 57857-10-0
• 化学式: C₁₂H₂₀N₂
• 分子量: 192.304
• InChiKey: FMTNNXQJKMDALV-UHFFFAOYSA-N

物化性质

• 沸点：
  110-112 °C(Press: 1 Torr)
• 密度：
  0.960 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzyl-N'-isopropyl-1,2-diaminoethane 在 silica gel 劳森试剂 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 N,N-二甲基甲酰胺 、 丙酮 、 甲苯 为溶剂， 反应 2.0h， 生成 4-[Benzyl-(2-isopropylamino-ethyl)-amino]-7,7-dimethyl-5-methylsulfanyl-7H-thiochromene-2,3-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Addition of twisted 1-thioacyl-2,2-diaminoethylenes to dimethyl acetylenedicarboxylate. Formation and ring opening of thiopyran-4-spiro-2'-(1',3'-diazacyclanes)

  摘要：

  Reaction of 1,3-dialkyl-2-(4,4-dimethyl-2,6-dithioxocyclohexylidene)imidazolidines and -hexahydropyrimidines (twisted push-pull ethylenes, 3) with methyl iodide followed by treatment with base leads smoothly to S-methyl derivatives, which are betaines with a 1,4-dipole and an electron-rich 1,3-butadiene system (5). These compounds react with DMAD to give dihydrobenzothiopyranspiroimidazolidine and -hexahydropyrimidine derivatives 7 in high yields. The spiro compounds rearrange in acid medium or on chromatography on silica gel to compounds, which we previously incorrectly described as ''folded ethylenes'' A but which are now shown to be 4-(2-aminoethyl)amino-ethyl)amino- or 4-(3-aminopropyl)aminothiopyran derivatives 11. The 4-amino groups of 11 are twisted out of the thiopyran plane by the flanking substituents, and the barrier to rotation through the plane was found by NMR bandshape analysis to be 17.8 kcal/mol for the (2-aminoethyl)amino and 16.9 kcal/mol for the (3-aminopropyl)amino group. A 1:2 adduct of 5 and DMAD which we also previously incorrectly described as a folded ethylene (B), was shown to be an aminomaleic ester derivative 12 formed by addition of the NH group of 11 to DMAD.

  DOI：

  10.1021/jo00005a043

文献信息

• Crosslinkers for improving stability of polyurethane foams
  申请人：Vedage Gamini Ananda

  公开号：US20080090922A1

  公开（公告）日：2008-04-17

  A composition for making a polyurethane foam includes a non-fugitive tertiary amine urethane catalyst and an alkylated polyamine crosslinking additives. Foams prepared from the reaction of a polyol and an organic isocyanate in the presence of these ingredients show improved resistance to deterioration of physical properties upon humid aging.

  一种制备聚氨酯泡沫的配方包括非挥发性三级胺脲催化剂和烷基化聚胺交联添加剂。在这些成分的存在下，聚醚和有机异氰酸酯反应制备的泡沫在湿度老化时显示出改善的物理性能耐久性。
• 2-ARYL pyrrologpyrimidines for A1 and A3 receptors
  申请人：Castelhano Arlindo L.

  公开号：US20090192177A1

  公开（公告）日：2009-07-30

  This invention pertains to compounds which specifically inhibit the adenosine A 1 and A 3 receptors and the use of these compounds to treat a disease associated with A 3 adenosine receptor in a subject, comprising administering to the subject a therapeutically effective amount of the compounds.

  本发明涉及特异性抑制腺苷A1和A3受体的化合物，以及使用这些化合物治疗与A3腺苷受体相关的疾病的方法，包括向患者施用治疗有效量的化合物。
• MAJCHRZAK M.; KOTELKO A.; GURYN R., ACTA POL. PHARM. <APPH-AX>, 1975, 32, NO 2, 145-148
  作者：MAJCHRZAK M.、 KOTELKO A.、 GURYN R.

  DOI：——

  日期：——
• GURYN R.; KOTELKO A.; MAJCHRZAK M., ACTA. POL. PHARM. <APPH-AX>, 1975, 32, NO 3, 293-301
  作者：GURYN R.、 KOTELKO A.、 MAJCHRZAK M.

  DOI：——

  日期：——
• US6680324B2
  申请人：——

  公开号：US6680324B2

  公开（公告）日：2004-01-20