2-[二(羟基甲基)氨基]乙醇 | 73391-91-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-[二(羟基甲基)氨基]乙醇
• 英文名称: N,N-bis(hydroxymethyl)ethanolamine
• 英文别名: tris (hydroxymethyl) methylamine；tris(hydroxymethyl) methylamine；Ethanol, 2-[bis(hydroxymethyl)amino]-；2-[bis(hydroxymethyl)amino]ethanol
• CAS: 73391-91-0
• 化学式: C₄H₁₁NO₃
• 分子量: 121.136
• InChiKey: LQOUIUASQQPAGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-[3-(4-乙酰基-3-羟基-2-丙基苯氧基)-2-羟基丙氧基]-4-氧代-8-丙基-4H-1-苯并吡喃-2-羧酸 、 2-[二(羟基甲基)氨基]乙醇 以 乙醇 、 水 为溶剂， 生成 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid tris (hydroxymethyl) methylamine salt monohydrate
  参考文献：
  名称：

  Chemical compounds

  摘要：

  提供的化合物的化学式为I，其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和R.sup.7可以相同也可以不同，可以是氢、羟基、烷氧基、被苯基取代的烷氧基、酰基、氨基、酰胺基、烯基、卤素或烷基，但至少其中之一不是氢或羟基；或者R.sup.1、R.sup.2、R.sup.3和R.sup.7中的相邻一对代表一个链--COCH=CH--O--，X是含有2至10个碳原子的烃链，可选择地被羟基取代，E是一个羧基或四唑基，及其药用可接受的衍生物。这些化合物被指定用作SRS-A的拮抗剂。

  公开号：

  US04006245A1
• 作为产物：
  描述：

  聚合甲醛 、 C.I.酸性橙108 以 四氢呋喃 为溶剂， 反应 10.0h， 生成 2-[二(羟基甲基)氨基]乙醇
  参考文献：
  名称：

  Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases

  摘要：

  As the active site mimics of [FeFe]-hydrogenases, 14 new butterfly [2Fe2E] (E = Se, S) cluster complexes have been prepared by various synthetic routes. The N-substituted single-butterfly [2Fe2Se] complexes [(mu-SeCH2)(2)NC(O)R]Fe-2-(CO)(6) (1, R = Me; 2, R = Ph; 3, R = PhCH2O) were prepared by reactions of the in situ formed (mu-LiSe)(2)Fe-2(CO)(6) with RC(O)N(CH2Cl)(2), whereas the corresponding [2Fe2S] complexes {(mu-SCH2)(2)NC6H4R-P]Fe-2(CO)(6) (4, R = CO2Et; 5, R = CH2OH) were produced by reaction of the in situ generated (mu-HS)(2)Fe-2(CO)(6) with aqueous CH2O followed by treatment with p-RC6H4NH2. The parent single-butterfly [2Fe2Se] complex [(mu-SeCH2)(2)NH]Fe-2(CO)(6) (6) could be prepared by reaction of the N-substituted complex 3 with deprotecting reagent BBr3, BF3 center dot OEt2/EtSH, or BF3 center dot OEt2/Me2S, whereas the N-substituted single-butterfly [2Fe2Se] complexes [(mu-SeCH2)(2)NC(O)R]Fe-2(CO)(6) (7, R = Et; 8, R = PhCH2) were produced by reactions of 6 with acylating agents RC(O)Cl in the presence of Et3N. While the known parent single-butterfly [2Fe2S] complex [(mu-SCH2)(2)NH]Fe-2(CO)(6) reacted with 2,6-[ClC(O)](2)C5H3N to afford double-butterfly [2Fe2S] complex [Fe-2(CO)(6)(mu-SCH2)(2)NC(O)](2)(2,6-C5H3N) (9), the new N-hydroxyethyl-substituted single-butterfly [2Fe2Se] complex [(mu-SeCH2)(2)N-(CH2)(2)OH]Fe-2(CO)(6) (10) could be obtained by the in situ reaction of (mu-HSe)(2)Fe-2(CO)(6) with (HOCH2)(2)N(CH2)(2)OH. Interestingly, complex 10 could react with [ClC(O)](2)CH2 or 1,3,5-[ClC(O)](3)C6H3 in the presence of Et3N to give the corresponding double-butterfly [2Fe2Se] complex [Fe-2(CO)(6)(mu-SeCH2)(2)N(CH2)(2)O2C](2)CH2 (11) and triple- butterfly complex [Fe-2(CO)(6)(mu-SeCH2)(2)N(CH2)(2)O2C](3)(1,3,5-C6H3) (12), whereas the known single-butterfly [2Fe2S] complex [(mu-SCH2)(2)N-(CH2)(2)OH]Fe-2(CO)(6) could react with 2,6-[ClC(O)](2)C5H3N and 1,3,5-[ClC(O)](3)C6H3 in the presence of Et3N to afford the corresponding double-butterfly [2Fe2S] complex [Fe-2(CO)(6)(mu-SCH2)(2)N(CH2)(2)O2C](2)(2,6-C5H3N) (13) and triple-butterfly complex [Fe-2(CO)(6)(mu-SCH2)(2)N(CH2)(2)O2C](3)(1,3,5-C6H3) (14), respectively.All the new complexes 1-14 have been characterized by elemental analysis and spectroscopy, as well as by X-ray crystallography for 1-4, 7-9 and 14. In addition, the electrochemical study indicated that complexes 1 and 2 can catalyze the Proton reduction of HOAc to give hydrogen.

  DOI：

  10.1021/om200395g