5,7-dihydroxy-6,8-dibutyryl-2,2-dimethylchroman | 105306-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5,7-dihydroxy-6,8-dibutyryl-2,2-dimethylchroman
• 英文别名: 1-(8-butanoyl-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)butan-1-one
• CAS: 105306-72-7
• 化学式: C₁₉H₂₆O₅
• 分子量: 334.412
• InChiKey: STKGEJMZAKZPJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  prenylphloroglucinol 、 丁酰氯 在 silica gel 作用下， 以to yield 5,7-dihydroxy-6,8-dibutyryl-2,2-dimethylchroman (36 after chromatography with silica gel (petroleum ether, ethyl acetate, 4:1)的产率得到5,7-dihydroxy-6,8-dibutyryl-2,2-dimethylchroman
  参考文献：
  名称：

  Phlorophenone derivatives, processes for preparing such compounds, uses

  摘要：

  通式I的新化合物为：##STR1## 其中，R是支链或直链烷基、环烷基或芳基烷基，该基团可以包含或被卤素或氧功能取代，其中的氧功能可以是醇或醚基团；R.sub.1、R.sub.2和R.sub.3可以相同也可以不同，是氢、烷基、酰基或苯甲酰基，该基团可以包含或被卤素或氧功能取代；R.sub.4是氢、烷基、烯基（最好是烯丙基或异戊二烯基）或芳基烷基，该基团可以包含或被烷基、芳基、卤素或氧功能取代；R.sub.5是氢、烷基、芳基烷基、酰基或芳基基团，该基团可以包含或被烷基、芳基、卤素或氧功能取代；但是，R.sub.4和R.sub.5不能同时为氢；除非R.sub.5是氢且R为甲基、异丙基、支链丁基、甲氧基甲基、2-苯乙基或2-苯乙烯基，否则不包括这些化合物；从这些化合物衍生的色甘醇和二氢苯并呋喃；这些化合物的药物可接受的盐、代谢物和代谢前体；制备上述类型化合物的方法；将上述类型化合物用作抗菌和/或抗真菌剂的用途；以及这些化合物的药物组合物。

  公开号：

  US04503256A1

文献信息

• Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds
  申请人：NORISTAN LIMITED

  公开号：EP0069536A1

  公开（公告）日：1983-01-12

  Novel compounds of general formula I wherein R is a branched or unbranched alkyl, cycloalkyl, or aralkyl group, which group optionally contains or is substituted by a halogen or oxygen function, the oxygen function optionally being in the form of an alcohol or ether moiety; R1, R2, and R3 which may be the same of different, is hydrogen, an alkyl, acyl, or benzoyl group, which group optionally contains or is substituted by a halogen or oxygen function; R4 is hydrogen, an alkyl, alkenyl preferably being an allyl or prenyl group, or aralkyl group which group optionally contains or is substituted by an alkyl, aryl, halogen or oxygen function; R5 is hydrogen, an alkyl, aralkyl, acyl, or aryl group which group optionally contains or is substituted by an alkyl, aryl, halogen, or oxygen function; except that R4 and R5 are not both hydrogen; and except for the compounds when R5 is hydrogen and R is methyl, i-propyl, branched butyl, methoxy methyl, 2-phenylethyl, or 2-phenylethylene; chromans and dihydrobenzofurans derived from these compounds; pharmaceutically acceptable salts, and metabolites and metabolic precursors of these compounds; processes for preparing the aforementioned types of compounds; use of the aforementioned types of compounds as antibacterial and or antimycotic agents; and pharmaceutical compositions of such compounds

  通式 I 的新型化合物 其中 R 是支链或非支链烷基、环烷基或芳烷基，该基团可选择含有或被卤素或氧官能团取代，氧官能团可选择以醇或醚分子的形式存在； R1、R2 和 R3（可以相同或不同）是氢、烷基、酰基或苯甲酰基，该基团可选择含有卤素或氧官能团或被卤素或氧官能团取代； R4 是氢、烷基、烯基（最好是烯丙基或炔基）或芳烷基，其基团可选择含有或被烷基、芳基、卤素或氧官能团取代； R5 是氢、烷基、芳烷基、酰基或芳基，其基团可选择包含或被烷基、芳基、卤素或氧官能团取代；但 R4 和 R5 不能都是氢；R5 为氢且 R 为甲基、一丙基、支链丁基、甲氧基甲基、2-苯基乙基或 2-苯基乙烯的化合物除外； 由这些化合物衍生的铬烷和二氢苯并呋喃； 药学上可接受的盐，以及这些化合物的代谢物和代谢前体； 上述类型化合物的制备工艺；上述类型化合物作为抗菌剂和或抗霉菌剂的用途； 以及此类化合物的药物组合物
• US4503256A
  申请人：——

  公开号：US4503256A

  公开（公告）日：1985-03-05
• US4578520A
  申请人：——

  公开号：US4578520A

  公开（公告）日：1986-03-25
• Phlorophenone derivatives, processes for preparing such compounds, uses
  申请人：Noristan Limited

  公开号：US04503256A1

  公开（公告）日：1985-03-05

  Novel compounds of general formula I ##STR1## wherein R is a branched or unbranched alkyl, cycloalkyl, or aralkyl group, which group optionally contains or is substituted by a halogen or oxygen function, the oxygen function optionally being in the form of an alcohol or ether moiety; R.sub.1, R.sub.2, and R.sub.3, which may be the same or different, is hydrogen, an alkyl, acyl, or benzoyl group, which group optionally contains or is substituted by a halogen or oxygen function; R.sub.4 is hydrogen, an alkyl, alkenyl preferably being an allyl or prenyl group, or aralkyl group which group optionally contains or is substituted by an alkyl, aryl, halogen or oxygen function; R.sub.5 is hydrogen, an alkyl, aralkyl, acyl, or aryl group, which group optionally contains or is substituted by an alkyl, aryl, halogen, or oxygen function; except that R.sub.4 and R.sub.5 are not both hydrogen; and except for the compounds when R.sub.5 is hydrogen and R is methyl, i-propyl, branched butyl, methoxy methyl, 2-phenylethyl, or 2-phenylethylene; chromans and dihydrobenzofurans derived from these compounds; pharmaceutically acceptable salts, and metabolites and metabolic precursors of these compounds; processes for preparing the aforementioned types of compounds; use of the aforementioned types of compounds as antibacterial and/or antimycotic agents; and pharmaceutical compositions of such compounds.

  通式I的新化合物##STR1##其中， R是支链或非支链烷基，环烷基或芳基烷基，该基团可以含有或被卤素或氧功能取代，氧功能可以选择以醇或醚基团的形式存在；R.sub.1，R.sub.2和R.sub.3可以相同也可以不同，是氢，烷基，酰基或苯甲酰基基团，该基团可以含有或被卤素或氧功能取代；R.sub.4是氢，烷基，烯基，最好是烯丙基或异戊二烯基团，或芳基烷基，该基团可以含有或被烷基，芳基，卤素或氧功能取代；R.sub.5是氢，烷基，芳基烷基，酰基或芳基基团，该基团可以含有或被烷基，芳基，卤素或氧功能取代；但是，R.sub.4和R.sub.5不能同时为氢；除非R.sub.5为氢且R为甲基，异丙基，支链丁基，甲氧基甲基，2-苯乙基或2-苯乙烯基，否则不包括这些化合物；从这些化合物中衍生的香豆素和二氢苯并呋喃；这些化合物的药学上可接受的盐以及它们的代谢物和代谢前体；制备上述类型化合物的方法；将上述类型化合物用作抗菌和/或抗真菌剂的用途；以及这些化合物的制药组合物。