ethyl 6-isocyanatocaprylate | 78241-55-1

• 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: ethyl 6-isocyanatocaprylate
• 英文别名: 8-Isocyanato-octansaeure-aethylester；Ethyl 8-isocyanatooctanoate
• CAS: 78241-55-1
• 化学式: C₁₁H₁₉NO₃
• 分子量: 213.277
• InChiKey: FJPUMAGPRSTRLK-UHFFFAOYSA-N

物化性质

• 沸点：
  88-91 °C(Press: 0.25 Torr)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 6-isocyanatocaprylate 在 lithium aluminium tetrahydride 作用下， 生成 8-(methylamino)octan-1-ol
  参考文献：
  名称：

  Synthesis and Stereochemistry of Indolizidine and Pyrrolizidine Methosalts

  摘要：

  DOI：

  10.1021/ja01070a028
• 作为产物：
  描述：

  8-氨基辛酸 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 18.5h， 生成 ethyl 6-isocyanatocaprylate
  参考文献：
  名称：

  Potential anticancer agents. 5-(N-Substituted-aminocarbonyl)- and 5-(N-substituted-aminothiocarbonyl)-5,6,7,8-tetrahydrofolic acids

  摘要：

  5-[[N-[(Ethoxycarbonyl)alkyl]amino]carbonyl] (6-9) and the corresponding aminothiocarbonyl (12-15) derivatives of 5,6,7,8-tetrahydrofolic acid were prepared as multisubstrate analogues of the substrate--cofactor adduct in the reactions catalyzed by the folate-mediated one-carbon transfer reactions. Evaluation in vitro showed that 7 (alkyl = hexyl) was cytotoxic to H.Ep.-2 cells (ED50, 4 microM) but noncytotoxic to proliferating L1210 cells. No activity was observed for 7 against the P388 leukemia in mice.

  DOI：

  10.1021/jm00398a034

文献信息

• Oxoimidazolinealkanoic acids and their salts and esters, their
  申请人：A. Nattermann & Cie. GmbH

  公开号：US04330550A1

  公开（公告）日：1982-05-18

  .omega.-(2-Oxo-4-imidazolin-1-yl) alkanoic acids and salts and esters thereof of the formula: ##STR1## in which n denotes an integer from 1 to 8, R.sup.1 denotes H, a non-toxic cation or a straight-chain or branched, saturated hydrocarbon group of 1 to 6 carbon atoms, and R.sup.2 denotes an unsubstituted or substituted aromatic radical of formula ##STR2## or naphthyl, the substituents X and Y being identical or different and each representing H, halogen or alkoxy have strong antithrombotic activity and an analgesic effect.

  .omega.-(2-氧代-4-咪唑啉-1-基)烷基酸及其盐和酯类的化学式为：##STR1## 其中，n表示1到8的整数，R1表示H、一种无毒阳离子或1到6个碳原子的直链或支链饱和碳氢基团，R2表示式##STR2##或萘基的非取代或取代的芳基基团，取代基X和Y相同或不同，分别表示H、卤素或烷氧基。该化合物具有强大的抗血栓活性和镇痛效果。
• TEMPLE, CARROLL, JR.;ELLIOTT, ROBERT D.;MONTGOMERY, JOHN A., J. MED. CHEM., 31,(1988) N 3, 697-700
  作者：TEMPLE, CARROLL, JR.、ELLIOTT, ROBERT D.、MONTGOMERY, JOHN A.

  DOI：——

  日期：——
• US4330550A
  申请人：——

  公开号：US4330550A

  公开（公告）日：1982-05-18
• Potential anticancer agents. 5-(N-Substituted-aminocarbonyl)- and 5-(N-substituted-aminothiocarbonyl)-5,6,7,8-tetrahydrofolic acids
  作者：Carroll Temple、Robert D. Elliott、John A. Montgomery

  DOI：10.1021/jm00398a034

  日期：1988.3

  5-[[N-[(Ethoxycarbonyl)alkyl]amino]carbonyl] (6-9) and the corresponding aminothiocarbonyl (12-15) derivatives of 5,6,7,8-tetrahydrofolic acid were prepared as multisubstrate analogues of the substrate--cofactor adduct in the reactions catalyzed by the folate-mediated one-carbon transfer reactions. Evaluation in vitro showed that 7 (alkyl = hexyl) was cytotoxic to H.Ep.-2 cells (ED50, 4 microM) but noncytotoxic to proliferating L1210 cells. No activity was observed for 7 against the P388 leukemia in mice.
• Synthesis and Stereochemistry of Indolizidine and Pyrrolizidine Methosalts
  作者：Walter L. Meyer、Nida. Sapianchiay

  DOI：10.1021/ja01070a028

  日期：1964.8