9-butyl-1,2,3,4,5,6,7,8-octahydroacridin-4(1H)-one | 99922-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-butyl-1,2,3,4,5,6,7,8-octahydroacridin-4(1H)-one
• 英文别名: 9-Butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone；9-butyl-2,3,5,6,7,8-hexahydro-1H-acridin-4-one
• CAS: 99922-92-6
• 化学式: C₁₇H₂₃NO
• 分子量: 257.376
• InChiKey: QBPDEDBUTGNVEL-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C
• 沸点：
  425.1±44.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9-butyl-1,2,3,4,5,6,7,8-octahydroacridin-4(1H)-one 在 二甲基硫 、 ammonium acetate 、 臭氧 作用下， 以 二甲基亚砜 为溶剂， 生成 5,11-dibutyl-3,4,6,7,9,10,12,13,14,15-decahydroacridino[4,3-b]benzo[j][1,10]phenanthrolin-1(2H)-one
  参考文献：
  名称：

  Expanded heterohelicenes: molecular coils that form chiral complexes

  摘要：

  DOI：

  10.1021/ja00016a062
• 作为产物：
  描述：

  9-n-butyl-1,2,3,4,5,6,7,8-octahydroacridine N-oxide 在 chromium(VI) oxide 、 盐酸 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.17h， 生成 9-butyl-1,2,3,4,5,6,7,8-octahydroacridin-4(1H)-one
  参考文献：
  名称：

  Construction of a soluble heptacyclic terpyridine

  摘要：

  DOI：

  10.1021/jo00355a041

文献信息

• [EN] NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS MICROBICIDES D'ÉTHER DE DIOXIME
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2012001040A1

  公开（公告）日：2012-01-05

  The present invention provides compounds of formula (I) wherein R1, A1, X, Y6, Y7, Y8, G1, G2, G3 and p are as defined in the claims. The invention further provides intermediates used in the preparation of these compounds, to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  本发明提供了以下式（I）的化合物，其中R1、A1、X、Y6、Y7、Y8、G1、G2、G3和p如权利要求中所定义。本发明还提供了用于制备这些化合物的中间体，以及包含这些化合物的组合物，并将其用于农业或园艺中，以控制或预防植物受植物病原微生物，尤其是真菌的侵害。
• NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES
  申请人：Nebel Kurt

  公开号：US20130102631A1

  公开（公告）日：2013-04-25

  The present invention provides compounds of formula (I) wherein R 1 , A 1 , X, Y 6 , Y 7 , Y 8 , G 1 , G 2 , G 3 and p are as defined in the claims. The invention further provides intermediates used in the preparation of these compounds, to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  本发明提供公式(I)中的化合物，其中R1，A1，X，Y6，Y7，Y8，G1，G2，G3和p如权利要求书所定义。本发明还提供用于制备这些化合物的中间体，包括这些化合物的组合物以及它们在农业或园艺中用于控制或预防植物被植物病原微生物，优选为真菌侵染。
• Molecular Architecture. 2.¹ Synthesis and Metal Complexation of Heptacyclic Terpyridyl Molecular Clefts
  作者：Thomas W. Bell、Peter J. Cragg、Albert Firestone、Albert D.-I. Kwok、Jia Liu、Richard Ludwig、Andrej Sodoma

  DOI：10.1021/jo9720041

  日期：1998.4.1

  Methods are described for the synthesis of a series of functionalized derivatives of 9-butyl-1,2,3,4,5,6,7,8-octahydroacridine (9), a building block for several types of highly preorganized host compounds. A key intermediate is 5-benzylidene-9-butyl-2,3,5,6,7,8-hexahydroacridin-4(1H)-one (23), which can also be used in the syntheses of torands and hydrogen-bonding hexagonal lattice receptors. A tridentate cleft (20), consisting of 2,2';6',2 "-terpyridine imbedded in a heptacyclic framework, and a corresponding pentadentate diketone (6) were synthesized from 9 in five and seven steps, respectively. The picrate extraction method was used to estimate the solution stabilities of alkali metal complexes of heptacyclic terpyridyls 6 and 20, which was also compared with a flexible terpyridyl (37). Alkali metal complexes of both heptacyclic terpyridyls showed relatively high K-s values, but low size selectivity. Pentadentate host 6 binds Na+ and K+ more strongly than do most hexadentate crown ethers; flexible tridentate analogue 37 failed to extract alkali metal picrates into chloroform. The complexation abilities of 6 and 20 are attributed to enforced orientation of functional group dipoles toward the center of the molecular cleft. Sodium and potassium picrate complexes of pentadentate cleft 6 were synthesized (1:1 stoichiometry), and a 2:1 complex of calcium triflate (6(2) . Ca(CF3SO3)(2)) was also prepared.
• Torands: rigid toroidal macrocycles. Calcium sequestration by a member of this new ligand class
  作者：Thomas W. Bell、Albert. Firestone

  DOI：10.1021/ja00285a049

  日期：1986.12
• BELL, TH. W.;FIRESTONE, A., J. ORG. CHEM., 1986, 51, N 5, 764-765
  作者：BELL, TH. W.、FIRESTONE, A.

  DOI：——

  日期：——