Methyl (4-chloroacetyl)phenyl acetate | 7706-77-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl (4-chloroacetyl)phenyl acetate
• 英文别名: methyl 4-chloroacetylphenylacetate；4-Chloracetyl-phenylessigsaeure-methylester；Benzeneacetic acid, 4-(chloroacetyl)-, methyl ester；methyl 2-[4-(2-chloroacetyl)phenyl]acetate
• CAS: 7706-77-6
• 化学式: C₁₁H₁₁ClO₃
• 分子量: 226.66
• InChiKey: JFUSZIQHNCHCIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  341.7±27.0 °C(Predicted)
• 密度：
  1.224±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl (4-chloroacetyl)phenyl acetate 、 2-氨基-4-硝基苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以48%的产率得到甲基[4-(6-硝基-2H-1,4-苯并恶嗪-3-基)苯基]乙酸酯
  参考文献：
  名称：

  Shridhar, D. R.; Sastry, C. V. Reddy; Bansal, O. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 3, p. 297 - 299

  摘要：

  DOI：
• 作为产物：
  描述：

  苯乙酸甲酯 、 氯乙酰氯 、 三氯化铝 生成 Methyl (4-chloroacetyl)phenyl acetate
  参考文献：
  名称：

  UGGERI, F.;GIORDANO, C.;BRAMBILLA, A.;ANNUNZIATA, R., J. ORG. CHEM., 1986, 51, N 1, 97-99

  摘要：

  DOI：

文献信息

• Heterocyclic compouds
  申请人：Zeneca Limited

  公开号：US05753659A1

  公开（公告）日：1998-05-19

  A compound of the general formula (M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I wherein: n is 0 or 1; M.sup.1 is an amino group; Q is an aromatic heterocyclic group containing a basic nitrogen atom; M.sup.2 is an imino group; L is a template group; and A is an acidic group, or an ester or amide derivative thereof, or a sulphonamide group; and pharmaceutically acceptable salts and pro-drugs thereof, for use in the treatment of a disease in which platelet aggregation mediated by the binding of adhesion molecules to GPIIb-IIIa is involved. Novel compounds are also disclosed.

  通式（M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I的化合物，其中：n为0或1；M.sup.1为氨基；Q为含有碱性氮原子的芳香杂环基团；M.sup.2为亚胺基；L为模板基团；A为酸性基团，或其酯或酰胺衍生物，或磺酰胺基团；以及其药学上可接受的盐和前药，用于治疗通过粘附分子结合到GPIIb-IIIa介导的血小板聚集参与的疾病。还披露了新的化合物。
• Synthesis of 1-(4-substituted)benzyl-6-hydroxyisoquinolines with potential activity on NA⁺,K⁺-atpase
  作者：Alberto Cerri、Paola Mauri、Marina Mauro、Piero Melloni

  DOI：10.1002/jhet.5570300622

  日期：1993.12

  binding to Na+,K+-ATPase, is described. The key step involved a cyclization to the isoquinoline ring under Pictet-Gams conditions which was best performed with the 6-hydroxy group protected as the benzyl ether. When an unsaturated ester group was present in position 4 of the 1-benzyl group, this was best introduced before the cyclization step, since the IIeck reaction on 1-(4-bromobenzyl)-6-hydroxyisoquinoline

  描述了1-（4-取代的）苄基-6-羟基异喹啉的合成，该合成将在与Na +，K + -ATPase结合的特定3 H-哇巴因的置换中进行评估。关键步骤涉及在Pictet-Gams条件下环化成异喹啉环，最好是将6-羟基作为苄基醚进行保护。当1-苄基的4位上存在不饱和酯基时，最好在环化步骤之前引入，因为1-（4-溴苄基）-6-羟基异喹啉（8）与丙烯酸衍生物的IIeck反应是并非在所有情况下都成功。
• Heterocyclic compounds
  申请人：Zeneca Limited

  公开号：US05563141A1

  公开（公告）日：1996-10-08

  A compound of the general formula (M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I wherein: n is 0 or 1; M.sup.1 is an amino group; Q is an aromatic heterocyclic group containing a basic nitrogen atom; M.sup.2 is an imino group; L is a template group; and A is an acidic group, or an ester or amide derivative thereof, or a sulphonamide group; and pharmaceutically acceptable salts and pro-drugs thereof, for use in the treatment of a disease in which platelet aggregation mediated by the binding of adhesion molecules to GPIIb-IIIa is involved. Novel compounds are also disclosed.

  一种通式为(M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I的化合物，其中：n为0或1；M.sup.1为氨基基团；Q为含有碱性氮原子的芳香杂环基团；M.sup.2为亚胺基团；L为模板基团；A为酸性基团，或其酯或酰胺衍生物，或磺酰胺基团；以及其医药上可接受的盐和前药，用于治疗与 GPIIb-IIIa 结合的粘附分子介导的血小板聚集相关的疾病。还公开了新型化合物。
• Heterocyclic derivatives
  申请人：Zeneca Limited

  公开号：US05728701A1

  公开（公告）日：1998-03-17

  Compounds of formula I ##STR1## and metabolically labile esters and amides thereof, and pharmaceutically acceptable salts thereof, in which R.sup.13, M.sup.2, X.sup.1, Z.sup.1, Z.sup.1a, X.sup.2 and A.sup.1 have the meanings given in the specification. The compounds are useful as inhibitors of the binding of fibrinogen to glycoprotein IIb/IIIa. Novel intermediates are also disclosed.

  式I的化合物及其代谢易降解的酯和酰胺，以及其药学上可接受的盐，其中R.sup.13，M.sup.2，X.sup.1，Z.sup.1，Z.sup.1a，X.sup.2和A.sup.1的含义如规范中所述。这些化合物可用作纤维蛋白原与糖蛋白IIb/IIIa结合的抑制剂。还公开了新型中间体。
• Heterocyclic derivatives as platelet aggregation inhibitors
  申请人：ZENECA LIMITED

  公开号：EP0825184A1

  公开（公告）日：1998-02-25

  RS 3-Methyl-4-[4-(4-pyridyl)piperazin-1-yl]phenoxybutyric acid and metabolically labile ester or amides thereof, and pharmaceutically acceptable salts thereof useful as an inhibitor of the binding of fibrinogen to glycoprotein IIb/IIIa.

  RS 3-甲基-4-[4-(4-吡啶基)哌嗪-1-基]苯氧基丁酸及其代谢易变酯或酰胺，以及可用作纤维蛋白原与糖蛋白 IIb/IIIa 结合抑制剂的药学上可接受的盐。