1-Methoxy-4-nitropentane | 1382963-46-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-Methoxy-4-nitropentane
• CAS: 1382963-46-3
• 化学式: C₆H₁₃NO₃
• 分子量: 147.174
• InChiKey: WWUISBZHAJXARN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Methoxy-4-nitropentane 在 氧气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 copper dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到1,8-Dimethoxy-4,5-dimethyl-4,5-dinitrooctane
  参考文献：
  名称：

  Copper-Catalyzed Homodimerization of Nitronates and Enolates under an Oxygen Atmosphere

  摘要：

  A method for copper-catalyzed oxidative dimerization of nitronates and enolates using oxygen as the terminal oxidant has been developed. Cyclization through oxidative intramolecular coupling is also feasible for both nitronates and enolates. The mild reaction conditions lead to good functional group tolerance.

  DOI：

  10.1021/om300393m

文献信息

• PHOSPHATE CONTAINING PRODRUGS OF SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS
  申请人：Vion Pharmaceuticals, Inc.

  公开号：EP1793823B1

  公开（公告）日：2012-08-08
• SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS
  申请人：Vion Pharmaceuticals, Inc.

  公开号：EP1793823A2

  公开（公告）日：2007-06-13
• Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents
  申请人：Lin Xu

  公开号：US20060089332A1

  公开（公告）日：2006-04-27

  Novel phosphate-bearing prodrugs of sulfonyl hydrazines have the formulas I, II, III and IV. Pharmaceutical compositions and uses thereof in the treatment of cancer are claimed. The aforementioned prodrugs include enantiomers, stereoisomers and tautomers thereof, as well as pharmaceutically acceptable salts or solvates and metabolites from all stages. The aforementioned prodrugs are preferentially activated in hypoxic tumors and can be given either alone, or in combination with other anticancer agents or with phototheraphy or radiotherapy. Where R=C 1-10 alkyl, or C 1-10 haloalkyl (preferably containing no more than 5 halogen groups, preferably 2-chloroethyl); R′ and R″ are independently C 1-10 alkyl, or C 5-20 aryl or heteroaryl (preferably methyl); R 1 is H, C 1-10 alkyl, C 1-10 alkoxyl, C 5-20 aryl or heteroaryl or C 5-20 aroxyl or heteroaroxyl (preferably methyl and ethyl); X is O, NH, or NR (preferably O); Y is (CH 2 ) n , O(CH 2 ) n , NH(CH 2 ) n , NR(CH 2 ) n , OCOO(CH 2 ) n , NHCOO(CH 2 ) n ; n is 1, 2, 3, 4 or 5 (preferably n=2 and 3); or Y=aryl or heteroaryl (preferably para-phenyl); A=CH, or N (preferably CH); and B=CH═CH, O, S, NH, or NR (preferably CH═CH); or pharmaceutically acceptable salts, solvates, polymorphs or metabolites, thereof.
• US7405317B2
  申请人：——

  公开号：US7405317B2

  公开（公告）日：2008-07-29
• [EN] PHOSPHATE-BEARING PRODRUGS OF SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS<br/>[FR] PROMEDICAMENTS D'HYDRAZINES DE SULFONYLE PORTEURS DE PHOSPHATE EN TANT QU'AGENTS ANTINEOPLASIQUES A SELECTION HYPOXIQUE
  申请人：VION PHARMACEUTICALS INC

  公开号：WO2006034266A2

  公开（公告）日：2006-03-30

  Novel phosphate-bearing prodrugs of sulfonyl hydrazines have the formulas (I), (II), (III) and (IV). Pharmaceutical compositions and uses thereof in the treatment of cancer are claimed. The aforementioned prodrugs include enantiomers, stereoisomers and tautomers thereof, as well as pharmaceutically acceptable salts or solvates and metabolites from all stages. The aforementioned prodrugs are preferentially activated in hypoxic tumors and can be given either alone, or in combination with other anticancer agents or with phototheraphy or radiotherapy. Where R = C1-10 alkyl, or C1-10 haloalkyl (preferably containing no more than 5 halogen groups, preferably 2-chloroethyl); R' and R' are independently C1-10 alkyl, or C5-20 aryl or heteroaryl (preferably methyl); R1 is H, C1-10 alkyl, C 1-10 alkoxyl, C5-20 aryl or heteroaryl or C5-20 aroxyl or heteroaroxyl (preferably methyl and ethyl); X is O, NH, or NR (preferably O); Y is (CH2)n , where n = 1, 2, 3, 4 or 5 (preferably n = 2 and 3); or Y = aryl or heteroaryl (preferably para-phenyl); A = CH, or N (preferably CH); and B = CH=CH, O, S, NH, or NR (preferably CH=CH); or pharmaceutically acceptable salts, solvates, polymorphs or metabolites, thereof.