N,N'-bis(butanoyl)-1,4-cyclohexanediamine | 109436-40-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N,N'-bis(butanoyl)-1,4-cyclohexanediamine
• 英文别名: N,N'-trans-1,4-cyclohexylaminebis-n-butyramide；N-[4-(butanoylamino)cyclohexyl]butanamide
• CAS: 109436-40-0
• 化学式: C₁₄H₂₆N₂O₂
• 分子量: 254.373
• InChiKey: ILRKVPYRVQPDCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  neodymium(III) nitrate hexahydrate 、 N,N'-bis(butanoyl)-1,4-cyclohexanediamine 以 乙醇 为溶剂， 生成 Nd(N,N'-trans-1,4-cyclohexylaminebis-n-butyramide)2(NO3)3
  参考文献：
  名称：

  Polymeric lanthanide complexes with extended reach bisamide ligands

  摘要：

  It is shown by X-ray structural studies that the bisamide ligands N,N'-p-xylylenebisacetamide (PXBA, I), N,N'-trans-1,4-cyclohexylaminebisacetamide (1,CCHBA, II) and N,N'-trans-1,4-cyclohexylaminebis-n-butyramide (1,4-CHBB, III) form polymeric network structures with lanthanide(III) nitrates. In the compound Er-2(PXBA)(3)(NO3)(6) (1) the erbium atoms are nine-coordinate and are linked by PXBA bridges to form sheets of contiguous 78-membered metallacyclic rings. In Ce(1,4-CHBA)(2)(NO3)(3) (2) the cerium atoms are ten-coordinate and the 1,4-CHBA ligands bridge adjacent cerium centres to form sheets of contiguous 44-membered rings with (4,4) topology and with a very compact stacking of the adjacent sheets. In Nd(1,4-CHBB)(2)(NO3)(3) (3) the neodymium atoms are eight-coordinate with the 1,4-CHBB ligands also bridging adjacent neodymium centres to form sheets of contiguous 44-membered rings with (4,4) topology, but with a pronounced 'square-wave' corrugation and crest-in-trough sheet stacking. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00568-x

文献信息

• MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：EP3634430A1

  公开（公告）日：2020-04-15
• [EN] MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME<br/>[FR] AGENTS MULTIBIOTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：FLAGSHIP PIONEERING INNOVATIONS V INC

  公开号：WO2018226732A1

  公开（公告）日：2018-12-13

  Multibiotic agents are disclosed. The multibiotic agents may contain two or more moieties linked through bonds cleavable in vivo. The bonds cleavable in vivo can be ester bonds, amide bonds, azo bonds, glycosidic bonds, carbonate linkers, or carbamate linkers. The moieties can be alcohol cores, amine cores, and/or acyls. Also disclosed are compositions containing multibiotic agents and methods of using the multibiotic agents.
• Polymeric lanthanide complexes with extended reach bisamide ligands
  作者：David M.L Goodgame、David A Grachvogel、Izhar Hussain、David J Williams

  DOI：10.1016/s0020-1693(99)00568-x

  日期：2000.4

  It is shown by X-ray structural studies that the bisamide ligands N,N'-p-xylylenebisacetamide (PXBA, I), N,N'-trans-1,4-cyclohexylaminebisacetamide (1,CCHBA, II) and N,N'-trans-1,4-cyclohexylaminebis-n-butyramide (1,4-CHBB, III) form polymeric network structures with lanthanide(III) nitrates. In the compound Er-2(PXBA)(3)(NO3)(6) (1) the erbium atoms are nine-coordinate and are linked by PXBA bridges to form sheets of contiguous 78-membered metallacyclic rings. In Ce(1,4-CHBA)(2)(NO3)(3) (2) the cerium atoms are ten-coordinate and the 1,4-CHBA ligands bridge adjacent cerium centres to form sheets of contiguous 44-membered rings with (4,4) topology and with a very compact stacking of the adjacent sheets. In Nd(1,4-CHBB)(2)(NO3)(3) (3) the neodymium atoms are eight-coordinate with the 1,4-CHBB ligands also bridging adjacent neodymium centres to form sheets of contiguous 44-membered rings with (4,4) topology, but with a pronounced 'square-wave' corrugation and crest-in-trough sheet stacking. (C) 2000 Elsevier Science S.A. All rights reserved.