1,3-bis-(3-carbethoxyphenyl)urea | 876946-70-2

• 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: 1,3-bis-(3-carbethoxyphenyl)urea
• 英文别名: N,N'-bis(m-ethocycarbonylphenyl)urea；3,3'-ureylene-di-benzoic acid diethyl ester；N.N'-Bis-(3-carbaethoxy-phenyl)-harnstoff；N.N'-Carbonyl-bis-(3-amino-benzoesaeure-aethylester)；Carbanilid-dicarbonsaeure-(3.3')-diaethylester；3,3'-Ureylen-di-benzoesaeure-diaethylester；Benzoic acid, 3,3'-(carbonyldiimino)bis-, diethyl ester；ethyl 3-[(3-ethoxycarbonylphenyl)carbamoylamino]benzoate
• CAS: 876946-70-2
• 化学式: C₁₉H₂₀N₂O₅
• 分子量: 356.378
• InChiKey: VJDJJISXDWHVOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-bis-(3-carbethoxyphenyl)urea 、 cadmium(II) chloride 在 水 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Coordination compounds of some metals with N,N′-Bis(m-ethoxycarbonylphenyl)urea

  摘要：

  N,N'-bis(m-ethoxycarbonylphenyl)urea and its complex compounds with cooper, zinc and cadmium were syntesized. The structure of N,N'-bis(m-ethoxycarbonylphenyl)urea was investigated by XRD method. Ligand coordination process was determined. Some factors affecting the donor ability of the nitrogen and oxygen atoms in ligand molecule were discussed.

  DOI：

  10.1134/s1070363213070190
• 作为产物：
  描述：

  3-氨基苯甲酸乙酯 生成 1,3-bis-(3-carbethoxyphenyl)urea
  参考文献：
  名称：

  Griess, Journal fur praktische Chemie (Leipzig 1954), 1871, vol. <2> 4, p. 297

  摘要：

  DOI：

文献信息

• Radiosynthesis of carbon-11-labelled GI181771, a new selective CCK-A agonist
  作者：F. Dollé、L. Martarello、Y. Bramoullé、M. Bottlaender、A.D. Gee

  DOI：10.1002/jlcr.947

  日期：2005.6

  o)benzoic acid, GI181771 ((S)-1) has been isotopically labelled with carbon-11 at its urea site using [11C]phosgene in a one-pot two-step process, via the intermediate preparation of an [11C]isocyanate derivative. Optimized conditions for the preparation of (S)-[11C]-1 were the following: (1) Trapping of [11C]phosgene (radiosynthesized from cyclotron-produced [11C]methane via [11C]carbon tetrachloride

  新型 CCK-A 激动剂，(S)-3-(3-1-[(isopropylphenylcarbamoyl)methyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[ b][1,4]diazepin-3-yl}ureido)benzoic acid, GI181771 ((S)-1) 已在其尿素位点使用 [11C] 光气在一锅二合一中用碳 11 同位素标记一步法，通过中间体制备[11C]异氰酸酯衍生物。制备 (S)-[11C]-1 的优化条件如下： (1) 捕集 [11C] 光气（从回旋加速器产生的 [11C] 甲烷通过 [11C] 四氯化碳放射合成，对已发表的工艺稍作修改) 在室温下在 300 µl 含有 0. 6 µmol 合适的（结构复杂的）手性胺得到相应的 [11C] 异氰酸酯，然后 (2) 添加过量的 3-氨基苯甲酸（40 µmol
• Griess, Journal fur praktische Chemie (Leipzig 1954), 1871, vol. <2> 4, p. 297
  作者：Griess

  DOI：——

  日期：——
• Coordination compounds of some metals with N,N′-Bis(m-ethoxycarbonylphenyl)urea
  作者：Yu. E. Ibragimova、O. F. Khodzhaev、N. A. Parpiev

  DOI：10.1134/s1070363213070190

  日期：2013.7

  N,N'-bis(m-ethoxycarbonylphenyl)urea and its complex compounds with cooper, zinc and cadmium were syntesized. The structure of N,N'-bis(m-ethoxycarbonylphenyl)urea was investigated by XRD method. Ligand coordination process was determined. Some factors affecting the donor ability of the nitrogen and oxygen atoms in ligand molecule were discussed.