Hexanimidsaeure-aethylester | 1001-25-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: Hexanimidsaeure-aethylester
• 英文别名: Hexanimidsaeureethylester；hexaneimidic acid ethyl ester；Ethyl hexanimidate
• CAS: 1001-25-8
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: WMALHEJLISXGDX-UHFFFAOYSA-N

物化性质

• 沸点：
  165-166 °C
• 密度：
  0.8397 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  Hexanimidsaeure-aethylester 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成
  参考文献：
  名称：

  Triazolinones as nonpeptide angiotensin II antagonists. 1. Synthesis and evaluation of potent 2,4,5-trisubstituted triazolinones

  摘要：

  A series of 2,4-dihydro-2,4,5-trisubstituted-3H-1,2,4-triazol-3-ones was prepared via several synthetic routes and evaluated as AII receptor antagonists in vitro and in vivo. The preferred compounds contained a [2'-(5-tetrazolyl)biphenyl-4-yl]methyl side chain at N4 and an n-butyl group at C5. A number of these bearing an alkyl or aralkyl substituent at N2 showed in vitro potency in the nanomolar range (rabbit aorta membrane receptor), and several of these, e.g., the 2,2-dimethyl-1-propyl analogue (54, IC50 = 2.1 nM), effectively blocked the AII pressor response in conscious rats with significant duration (2.5 h at 1 mg/kg orally for 54). Among analogues possessing aryl substituents at N2, ortho substitution on the phenyl moiety resulted in several derivatives with in vitro potency in the low nanomolar range. One of these, featuring a 2-(trifluoromethyl)phenyl substituent at N2 (25, IC50 = 1.2 nM), was effective at 1 mg/kg orally in the rat model, with a duration of >6 h. Implications for hydrophobic and hydrogen-bonding interactions with the AT1 receptor are discussed.

  DOI：

  10.1021/jm00069a015
• 作为产物：
  描述：

  己酰胺 、 氯甲酸乙酯 生成 Hexanimidsaeure-aethylester
  参考文献：
  名称：

  Synthesis of imidate hydrochlorides by reaction of ethyl chloroformate with amides and thionamides

  摘要：

  DOI：

  10.1021/jo01254a009

文献信息

• Synthesis and properties of derivatives of sym-triazines. 11. Synthesis of 2-amino-sym-triazines containing alkyl radicals
  作者：V. I. Kelarev、R. A. Karakhanov、Yu. N. Polivin、A. M. Kuatbekov、A. S. Remizov、A. I. Mikaya

  DOI：10.1007/bf00534397

  日期：1993.9
• Drosdow; Bechli, Zhurnal Obshchei Khimii, 1944, vol. 14, p. 280,290
  作者：Drosdow、Bechli

  DOI：——

  日期：——
• Reynaud,P.; Moreau,R.C., Bulletin de la Societe Chimique de France, 1964, p. 2999 - 3002
  作者：Reynaud,P.、Moreau,R.C.

  DOI：——

  日期：——
• Convenient and general method for aliphatic and aromatic selenonesters and N-mono- and N,N-disubstituted selenoamides synthesis
  作者：Victor Israel Cohen

  DOI：10.1021/jo00435a031

  日期：1977.7
• Gol'din,G.S. et al., Journal of Organic Chemistry USSR (English Translation), 1969, vol. 5, p. 1370 - 1374
  作者：Gol'din,G.S. et al.

  DOI：——

  日期：——