4-Hydroxybenzimidsaeureethylester | 79416-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-Hydroxybenzimidsaeureethylester
• 英文别名: ethyl 4-hydroxybenzimidate；ethyl 4-hydroxybenzenecarboximidoate；ethyl 4-hydroxybenzenecarboximidate
• CAS: 79416-60-7
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: DMZBPAYBICWGIH-UHFFFAOYSA-N

物化性质

• 沸点：
  252.8±42.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  53.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Hydroxybenzimidsaeureethylester 生成 N-methyl-4-hydroxybenzamidine
  参考文献：
  名称：

  YOUNG R. C.; GANELLIN C. R.; GRAHAM M. J.; MITCHELL R. C.; ROANTREE M. L.+, J. MED. CHEM., 30,(1987) N 7, 1150-1156

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基苯甲腈 生成 4-Hydroxybenzimidsaeureethylester
  参考文献：
  名称：

  Amidino compounds, their manufacture and methods of treatment

  摘要：

  本发明涉及公式 ##STR1## 中化合物，其中C(.dbd.NH)--NHR.sub.3基团可以处于互变异构或同分异构形式，并且其药学上可接受的盐。该化合物可用作选择性LTB.sub.4受体拮抗剂。

  公开号：

  US05451700A1

文献信息

• Amidino compounds, their manufacture and method of treatment
  申请人：Ciba-Geigy Corporation

  公开号：US05488160A1

  公开（公告）日：1996-01-30

  The invention relates to the compounds of the formula ##STR1##

  这项发明涉及公式##STR1##的化合物。
• AMIDINOANILINE DERIVATIVE
  申请人：AJINOMOTO CO., INC.

  公开号：US20130023563A1

  公开（公告）日：2013-01-24

  Provided are a novel amidine derivative having an activated blood coagulation factor X inhibitory activity, a production method thereof, a production intermediate therefor, and a pharmaceutical composition containing the amidine derivative. An amidinoaniline derivative represented by the following formula (1-1) or a pharmaceutically acceptable salt thereof: , and a pharmaceutical composition containing the amidinoaniline derivative or a pharmaceutically acceptable salt thereof.

  提供了一种具有活化血凝血因子X抑制活性的新型胍衍生物，其制备方法，制备中间体以及含有该胍衍生物的药物组合物。所述胍胺苯衍生物如下式（1-1）所代表或其药用可接受的盐：<在式（1-1）中，每个符号如描述中定义>，以及含有该胍胺苯衍生物或其药用可接受的盐的药物组合物。
• [EN] AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS<br/>[FR] DERIVES D'AMINO-PROPANOL COMME MODULATEURS DE RECEPTEUR DE SPHINGOSINE-1-PHOSPHATE
  申请人：NOVARTIS AG

  公开号：WO2004096757A1

  公开（公告）日：2004-11-11

  Compounds of formula (I), wherein X, a, b, R1, R2, R3, R4 and R5 are as defined in the specification, processes for their production, their uses and pharmaceutical compositions containing them.

  式(I)的化合物，其中X、a、b、R1、R2、R3、R4和R5如规范中定义，它们的生产过程，用途以及含有它们的药物组合物。
• Sequential C–H and C–C Bond Cleavage: Divergent Constructions of Fused <i>N</i>-Heterocycles via Tunable Cascade
  作者：Xianwei Li、Jianhang Rao、Wensen Ouyang、Qian Chen、Ning Cai、Yu-Jing Lu、Yanping Huo

  DOI：10.1021/acscatal.9b03091

  日期：2019.9.6

  multiple cascade reactions for the divergent assembly of fused N-heterocycles, comprising sequential activation of C–H and C–C bonds. Isolatable indene-type intermediates might be responsible for the generation of densely substituted fused pyridines, azepines, and azafluorenones products. The tolerance of strongly coordinating N-heterocycles, and those readily applicable for the late-stage modifications

  简化从丰富的原料中产生多种高度功能化分子的过程，在药物和材料发现方面具有巨大的合成前景和挑战。本文中，我们报道了在多个级联反应中，对于稠合的N-杂环的发散组装，存在可调的选择性，包括C–H和C–C键的顺序激活。可分离的茚型中间体可能负责生成密集取代的稠合吡啶，氮杂ze和氮杂芴酮产品。强配位N-杂环的耐受性以及易于应用于药物和材料分子前体后期修饰的N-杂环的耐受性进一步证明了这种转化的合成稳健性。
• Arylethers, their manufacture and methods of treatment
  申请人：Ciba-Geigy

  公开号：US05246965A1

  公开（公告）日：1993-09-21

  The invention relates to the compounds of the formula ##STR1## wherein the C(.dbd.NH)--NHR group may be in tautomeric or isomeric form, and pharmaceutically acceptable salts thereof, in which: R is hydrogen or an acyl radical which is derived from an organic carbonic acid, an organic carboxylic acid, a sulfonic acid, or a carbamic acid; R.sub.1 is a substituent selected from an aliphatic hydrocarbon radical, an araliphatic hydrocarbon radical and a cycloaliphatic hydrocarbon radical; X.sub.1 and X.sub.3, independently of one another, are oxygen (--O--) or sulphur (--S--); and X.sub.2 is a divalent aliphatic hydrocarbon radical which may be interrupted by an aromatic radical; wherein the phenyl rings of formula I may be, independently of one another, further substituted by one or more substituents selected from halogen, trifluoromethyl, an aliphatic hydrocarbon radical, hydroxy, and hydroxy which is etherified by an aliphatic, araliphatic or cycloaliphatic alcohol or which is esterified by an aliphatic or araliphatic carboxylic acid; wherein aryl in the above definitions may be, independently of one another, further substituted by one or more substituents selected from halogen, trifluoromethyl, an aliphatic hydrocarbon radical, hydroxy, and hydroxy which is etherified by an aliphatic, araliphatic or cycloaliphatic alcohol or which is esterified by an aliphatic or araliphatic carboxylic acid; and wherein a cycloaliphatic hydrocarbon radical may be substituted by an aliphatic radical. The compounds are useful as selective LTB.sub.4 receptor antagonists in the treatment of conditions or syndromes in mammals which are responsive to LTB.sub.4 receptor antagonism.

  本发明涉及公式##STR1##的化合物及其药学上可接受的盐，其中：C(.dbd.NH)--NHR基团可以处于互变异构或同分异构形式，R为氢或由有机碳酸、有机羧酸、磺酸或氨基甲酸衍生的酰基基团；R.sub.1为从脂肪烃基、芳基脂肪烃基和环烷基脂肪烃基中选择的取代基；X.sub.1和X.sub.3独立地为氧（--O--）或硫（--S--）；X.sub.2为二价脂肪烃基，其可以由芳香基中断；在公式I中的苯环可以独立地进一步由卤素、三氟甲基、脂肪烃基、羟基和由脂肪烷基、芳基脂肪烷基或环烷基醇醚化的羟基或由脂肪烷基或芳基脂肪酸酯化的羟基的一个或多个取代基取代；在上述定义中的芳基可以独立地进一步由卤素、三氟甲基、脂肪烃基、羟基和由脂肪烷基、芳基脂肪烷基或环烷基醇醚化的羟基或由脂肪烷基或芳基脂肪酸酯化的羟基的一个或多个取代基取代；其中环烷基脂肪烃基可以由脂肪烃基取代。这些化合物在哺乳动物对LTB.sub.4受体拮抗作用有反应的情况或综合症的治疗中作为选择性LTB.sub.4受体拮抗剂是有用的。