N-[3-(aminomethyl)benzyl]-2,2,2-trifluoroacetamide | 263854-39-3

• 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: N-[3-(aminomethyl)benzyl]-2,2,2-trifluoroacetamide
• 英文别名: N-[[3-(aminomethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
• CAS: 263854-39-3
• 化学式: C₁₀H₁₁F₃N₂O
• 分子量: 232.205
• InChiKey: FVQYEHQWCVHTTP-UHFFFAOYSA-N

物化性质

• 沸点：
  346.9±42.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[3-(aminomethyl)benzyl]-2,2,2-trifluoroacetamide 在 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.33h， 生成 3-ethoxycarbonylaminomethylbenzylamine
  参考文献：
  名称：

  Characterization of mono- and diaminopyrimidine derivatives as novel, nonpeptide gonadotropin releasing hormone (GnRH) receptor antagonists

  摘要：

  A novel series of derivatives of mono- and diaminopyrimidines 1 potently displaced binding of a radiolabeled GnRH analogue to human and rat GnRH receptors. Analogues from these series competitively antagonized GnRH-stimulated increases in extracellular acidification in vitro and suppressed GnRH-mediated increases in circulating luteinizing hormone (LH) in castrated rats and testosterone in intact rats. These compounds or their analogues may be useful in treating sex hormone-dependent disease. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00756-4
• 作为产物：
  描述：

  间苯二甲胺 、 三氟乙酸乙酯 以 四氢呋喃 为溶剂， 以53%的产率得到N-[3-(aminomethyl)benzyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION

  摘要：

  公开号：

  EP1105120B1

文献信息

• EP1105120A4
  申请人：——

  公开号：EP1105120A4

  公开（公告）日：2001-12-19
• NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：EP1401427A2

  公开（公告）日：2004-03-31
• EP1401427A4
  申请人：——

  公开号：EP1401427A4

  公开（公告）日：2004-12-01
• US7101878B1
  申请人：——

  公开号：US7101878B1

  公开（公告）日：2006-09-05
• [EN] NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION<br/>[FR] AGENTS NON PEPTIDIQUES DE L'HORMONE DE LIBERATION DE LA GONADOTROPHINE ET INTERMEDIAIRES UTILES POUR LES PREPARER
  申请人：AGOURON PHARMA

  公开号：WO2000020358A2

  公开（公告）日：2000-04-13

  Non-peptide GnRH agents capable of inhibiting the effect of gonadotropin-releasing hormone are described. Such compounds and their pharmaceutically acceptable salts, multimers, prodrugs, and active metabolites are suitable for treating mammalian reproductive disorders and steroid hormone-dependent tumors as well as for regulating fertility, where suppression of gonadotropin release is indicated. Methods for synthesizing the compounds and intermediates useful in their preparation are also described.