1-(2-异氰酸乙氧基)-2-甲氧基苯 | 775348-87-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(2-异氰酸乙氧基)-2-甲氧基苯
• 英文名称: 1-(2-Isocyanatoethoxy)-2-methoxybenzene
• CAS: 775348-87-3
• 化学式: C₁₀H₁₁NO₃
• mdl: MFCD11613861
• 分子量: 193.2
• InChiKey: UDTFSGQNCVKRFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Intermediate for the preparation of carvedilol
  申请人：A/S GEA Farmaceutisk Fabrik

  公开号：EP1367052B1

  公开（公告）日：2006-07-12
• PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 1-(9H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXY-PHENOXY)-ETHYLAMINO]-PROPAN-2-OL, CARVEDILOL OR ACID ADDITION SALT THEREOF
  申请人：A/S GEA Farmaceutisk Fabrik

  公开号：EP1282601A1

  公开（公告）日：2003-02-12
• [EN] PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 1-(9H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXY-PHENOXY)-ETHYLAMINO]-PROPAN-2-OL, CARVEDILOL OR ACID ADDITION SALTS THEREOF<br/>[FR] PROCEDE ET INTERMEDIAIRES DESTINES A LA PREPARATION DE 1-(9H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXY-PHENOXY)-ETHYLAMINO]-PROPANE-2-OL, CARVEDILOL OU D'UN SEL D'ADDITION ACIDE DE CE COMPOSE
  申请人：GEA FARMACEUTISK FABRIK AS

  公开号：WO2001087837A1

  公开（公告）日：2001-11-22

  1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-phenoxy)-ethylamino]-propan-2-ol, carvedilol, or an acid addition salt thereof, is prepared by alkylating 5-chloromethyl-3-[2-(2-methoxy-phenoxy)-ethyl]-oxazolidin-2-one (VII) with 4-hydroxy-carbazol for the formation of 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-methoxy-phenoxy)-ethyl]-oxazolidin-2-one (IX), or an acid addition salt thereof, which subsequently is decarboxylated. The compound (VII) may be formed in a two step reaction starting from 1,3-dichloro-propan-2-ol, phenyl chloroformate and 2-(2-methoxy-phenoxy)-ethylamine followed by formation of the oxazolidine ring by cyclisation. Further new intermediates for the synthesis of carvedilol are provided.