4,4'-di-piperidin-1-yl-1,1'-xanthene-2,7-diyl-bis-butan-1-one | 37971-94-1

• 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: 4,4'-di-piperidin-1-yl-1,1'-xanthene-2,7-diyl-bis-butan-1-one
• 英文别名: 2,7-bis(4-piperidinobutyryl)xanthene；Bis<(piperidino)-4butyryl>-2,7-xanthen；2,7-Bis-(4-piperidino-butyryl)xanthen；2,7-Bis-(4-piperidinobutyryl)-xanthen；4-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9H-xanthen-2-yl]butan-1-one；4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-xanthen-2-yl]butan-1-one
• CAS: 37971-94-1
• 化学式: C₃₁H₄₀N₂O₃
• 分子量: 488.67
• InChiKey: YLZJXKRNYXKCOV-UHFFFAOYSA-N

物化性质

• 熔点：
  115-117 °C(Solv: hexane (110-54-3))
• 沸点：
  654.5±55.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,4'-di-piperidin-1-yl-1,1'-xanthene-2,7-diyl-bis-butan-1-one 在 sodium hydroxide 、 sodium borohydrid 作用下， 以 四氢呋喃 、 盐酸 、 甲醇 为溶剂， 生成 4,4'-di-piperidin-1-yl-1,1'-xanthene-2,7-diyl-bis-butan-1-ol
  参考文献：
  名称：

  Xanthene and thioxanthene derivatives

  摘要：

  揭示了新型2,7-双碱性茚和噻二茚衍生物，其制备及用于预防和抑制病毒感染的用途。

  公开号：

  US04008240A1
• 作为产物：
  描述：

  4,4'-dichloro-1,1'-xanthene-2,7-diyl-bis-butan-1-one 、 哌啶 以88%的产率得到
  参考文献：
  名称：

  CARR A. A.; GRUNWELL J. F.; SILL A. D.; MEYER D. R.; SWEET F. W.; SCHEVE +, J. MED. CHEM. , 1976, 19, NO 9, 1142-1148

  摘要：

  DOI：

文献信息

• Antiviral compositions containing bis-basic ketones of xanthene and
  申请人：Richardson-Merrell Inc.

  公开号：US03957989A1

  公开（公告）日：1976-05-18

  Novel bis-basic ketones of xanthene and xanthen-9-one have antiviral activity when administered orally and parenterally. The compounds are represented by the following formula: ##SPC1## Wherein Z is oxygen or H.sub.2 ; each A is a straight or branched alkylene chain having from 1 to about 6 carbon atoms; and each Y is A. the group ##EQU1## wherein R.sup.1 and R.sup.2 are individually hydrogen, lower alkyl having from 1 to about 6 carbon atoms, cycloalkyl having from 3 to 6 carbon atoms, alkenyl of from 3 to 6 carbon atoms and having the vinyl unsaturation in other than the 1-position of the alkenyl group; or B. the group ##EQU2## WHEREIN N IS A WHOLE INTEGER FROM 4 TO 6, AND R.sup.3 is hydrogen, lower alkyl of from 1 to about 4 carbon atoms and can be linked to any one of the carbon atoms of the heterocyclic group; or C. the group ##EQU3## wherein X is oxygen or NR.sup.4, and R.sup.4 is hydrogen or lower alkyl of from 1 to about 4 carbon atoms; Or a pharmaceutically acceptable acid addition salt thereof. These compounds can be prepared by several different methods.

  新型的黄色素和黄色素-9-酮的双碱基酮在口服和肌内给药时具有抗病毒活性。这些化合物由以下公式表示：其中Z是氧或H.sub.2；每个A是具有1至约6个碳原子的直链或支链烷基链；每个Y是A.组##EQU1##其中R.sup.1和R.sup.2分别是氢、具有1至约6个碳原子的低烷基、具有3至6个碳原子的环烷基、具有3至6个碳原子且烯烃基上的乙烯不饱和位于烯烃基的1-位置以外的烯烃基；或B.组##EQU2##其中N是4至6的整数，R.sup.3是氢、具有1至约4个碳原子的低烷基，可以连接到杂环基的任一碳原子上；或C.组##EQU3##其中X是氧或NR.sup.4，R.sup.4是氢或具有1至约4个碳原子的低烷基；或其药用可接受的酸加盐。这些化合物可以通过几种不同的方法制备。
• Pharmaceutically useful nitrogen containing heterocyclic derivatives
  申请人：Richardson-Merrell Inc.

  公开号：US03937833A1

  公开（公告）日：1976-02-10

  Bis-basic substituted aromatic polycyclic compounds of the following structure are useful in treating conditions of delayed hypersensitivity: ##SPC1## Wherein [W] represents an aromatic polycyclic nucleus selected from fluoranthene, fluorene, fluoren-9-ol, fluoren-9-one, dibenzofuran, dibenzothiophene, carbazole, N-(lower)alkyl carbazole, xanthene, xanthone, thioxanthene, phenoxathiin, or anthraquinone; Y represents carbonyloxy, carbonylthio, oxygen, divalent sulfur or carbonyl with the provisos that when Y is carbonyloxy or carbonylthio, [W] is other than thioxanthene, phenoxathiin or anthraquinone, when Y is oxygen or divalent sulfur, [W] is other than thioxanthene or phenoxathiin, and when Y is carbonyl, [W] is other than fluoren-9-ol or anthraquinone; A represents a straight or branched alkylene chain of from 1 to 6 carbon atoms with the proviso that when Y is carbonyloxy or carbonylthio, A contains at least 2 straight chain carbon atoms, that is, an ethylene radical; R represents hydrogen, a straight or branched lower alkyl group of from 1 to 4 carbon atoms, phenyl or benzyl; and pharmaceutically useful acid addition salts.

  以下结构的Bis-基取代芳香族多环化合物在治疗延迟型超敏反应方面很有用：##SPC1## 其中[W]代表从荧蒽、芴、芴-9-醇、芴-9-酮、二苯并呋喃、二苯并噻吩、咔唑、N-(较低)烷基咔唑、苯酚氧噻吩或蒽醌中选的芳香族多环核；Y代表羰氧基、羰硫基、氧、二价硫或羰基，但当Y为羰氧基或羰硫基时，[W]不是噻吩、苯酚氧噻吩或蒽醌，当Y为氧或二价硫时，[W]不是噻吩或苯酚氧噻吩，当Y为羰基时，[W]不是芴-9-醇或蒽醌；A代表1至6个碳原子的直链或支链烷基链，但当Y为羰氧基或羰硫基时，A含有至少2个直链碳原子，即乙烯基；R代表氢、1至4个碳原子的直链或支链低级烷基、苯基或苄基；以及药用酸盐。
• US3937833A
  申请人：——

  公开号：US3937833A

  公开（公告）日：1976-02-10
• US3957989A
  申请人：——

  公开号：US3957989A

  公开（公告）日：1976-05-18
• US4041165A
  申请人：——

  公开号：US4041165A

  公开（公告）日：1977-08-09