N-tert-butyl-N′-adamantylurea | 25348-10-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N-tert-butyl-N′-adamantylurea
• 英文别名: N-(1-adamantyl)-N'-tert-butylurea；N-(1)Adamantyl-N'-tert-butyl-harnstoff；1-(1-Adamantyl)-3-tert-butylurea
• CAS: 25348-10-1
• 化学式: C₁₅H₂₆N₂O
• mdl: MFCD02208280
• 分子量: 250.384
• InChiKey: CEMVWFYLRWMNMG-UHFFFAOYSA-N

物化性质

• 熔点：
  254-259 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  406.1±12.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)
• 溶解度：
  2.1 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.933
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-氯金刚烷 在 四氯化钛 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-tert-butyl-N′-adamantylurea
  参考文献：
  名称：

  Synthesis of adamantane derivatives. 56. Reaction of 1-adamantyl chloride with trimethylsilyl pseudohalide

  摘要：

  DOI：

  10.1021/jo00339a050

文献信息

• Formation of Di-<i>tert</i>-butylurea from a Mononuclear Iron Tris(isocyanide) Complex
  作者：Anitha S. Gowda、Andreas Baur、Carl A. Scaggs、Jeffrey L. Petersen、Jessica M. Hoover

  DOI：10.1021/acs.organomet.6b00687

  日期：2016.11.14

  We report the synthesis and characterization of the tripodal iron tris(isocyanide) complexes [Tm-R'Fe(CNR)(3)](OTf) (R = tBu, Ad; R' = Me, Ph, Mes). These complexes generate the corresponding disubstituted ureas when treated sequentially with a reductant (KC8) and a proton source (H2O). A series of labeling experiments indicate air to be the source of the urea oxygen, while the urea carbon is derived from the isocyanide. Crossover experiments indicate a key role for H2NR in the formation of the disubstituted urea, and we propose a pathway for urea formation that involves a diaminocarbene intermediate that is formed from H2NR attack on a bound isocyanide ligand.
• SASAKI, TADASHI;NAKANISHI, AKIRA;OHNO, MASATOMI, J. ORG. CHEM., 1981, 46, 5445-5447
  作者：SASAKI, TADASHI、NAKANISHI, AKIRA、OHNO, MASATOMI

  DOI：——

  日期：——
• METHODS OF TREATING BONE LOSS
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20200306232A1

  公开（公告）日：2020-10-01

  Provided are compositions and methods for preventing, mitigating, decreasing, inhibiting and/or reversing bone loss and/or increasing and/or promoting bone regeneration and remodeling and/or preventing, mitigating, decreasing, inhibiting and/or reversing periodontitis and/or periodontal disease in a subject by administering to the subject an effective amount of an inhibitor of soluble epoxide hydrolase (sEH).
• Synthesis of adamantane derivatives. 56. Reaction of 1-adamantyl chloride with trimethylsilyl pseudohalide
  作者：Tadashi Sasaki、Akira Nakanishi、Masatomi Ohno

  DOI：10.1021/jo00339a050

  日期：1981.12