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

文献信息

• Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases
  作者：Wei Gao、Li-Cheng Song、Bang-Shao Yin、Hui-Ning Zan、De-Fu Wang、Hai-Bin Song

  DOI：10.1021/om200395g

  日期：2011.8.8

  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.
• Chemical compounds
  申请人：Fisons Limited

  公开号：US04006245A1

  公开（公告）日：1977-02-01

  There are provided compounds of formula I, ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and R.sup.7 may be the same or different, and are hydrogen, hydroxy, alkoxy, alkoxy substituted by phenyl, acyl, amino, acylamino, alkenyl, halogen, or alkyl, provided that at least one of R.sup.1, R.sup.2, R.sup.3 and R.sup.7 are other than hydrogen and hydroxy, Or an adjacent pair of R.sup.1, R.sup.2, R.sup.3 and R.sup.7 represent a chain --COCH=CH--O--, X is a hydrocarbon chain containing from 2 to 10 carbon atoms and optionally substituted by a hydroxy group, and E is a carboxy group or a tetrazole group, And pharmaceutically acceptable derivatives thereof. The compounds are indicated for use as antagonists of SRS-A.

  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。