3,4-Dipentoxybenzaldehyde | 161915-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4-Dipentoxybenzaldehyde
• CAS: 161915-41-9
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: VPJLDTSNYNBWLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-Dipentoxybenzaldehyde 在 4-甲基苯磺酸吡啶 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 生成 3',4'-di-n-pentoxy-4-stilbazole
  参考文献：
  名称：

  Donnio, Bertrand; Bruce, Duncan W., Journal of the Chemical Society, Dalton Transactions, 1997, # 16, p. 2745 - 2755

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二羟基苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,4-Dipentoxybenzaldehyde
  参考文献：
  名称：

  Strzelecka, H.; Jallabert, C.; Veber, M., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 161, p. 395 - 402

  摘要：

  DOI：

文献信息

• Tuning the thermotropic properties of liquid crystalline p-substituted aroylhydrazones
  作者：Hemant Kumar Singh、Sachin Kumar Singh、Rajib Nandi、Madan Kumar Singh、Vijay Kumar、Ranjan K. Singh、D. S. Shankar Rao、S. Krishna Prasad、Bachcha Singh

  DOI：10.1039/c5ra06620d

  日期：——

  Lamellar smectic A to columnar mesophase crossover is observed in p-substituted aroylhydrazones by variation of the alkoxy chain density at peripherals.

  通过改变周边烷氧链密度，在p-取代芳酰肼中观察到片层烟酸A到柱状介晶相的交叉。
• Discotic metallomesogens: mesophase crossover of columnar rectangular to hexagonal arrangements in bis(hydrazinato)nickel(II) complexes
  作者：Chung K. Lai、Chun-hsien Tsai、Yung-shyen Pang

  DOI：10.1039/a800657a

  日期：——

  Three series ofN-(3,4-dialkoxybenzylidene)-N′-(3′,4′,5′-trialkoxybenzoyl)hydrazine and their nickel(ii) complexes, bis[N-(3,4-dialkoxybenzylidene)-N′-(3′,4′,5′-trialkoxybenzoyl)hydrazinato]nickel(ii), were prepared and characterized. The mesomorphic properties of these disc-like compounds were also studied in terms of liquid crystallinity. The orange nickel(ii) complexes with ten soft alkoxy side chains exhibited columnar disordered mesophases, which were characterized based on DSC analysis and optical polarized microscopy. Nickel complexes with shorter side chains (n=5–8) displayed a monotropic columnar rectangular disordered (Colrd) phase; however, complexes with longer side chains showed monotropic (n=10) and enantiotropic (n=12, 14) columnar hexagonal disordered (Colhd) phases. Similar nickel complexes (n=14) with eight side chains exhibited a columnar hexagonal phase, whereas complexes (n=14) with six side chains formed crystalline phases. The structures of these columnar disordered phases were confirmed by X-ray powder diffraction. XRD data indicated that mesophase crossover from columnar rectangular (Colr) to hexagonal arrangements (Colh) was observed with increasing side chain lengths.

  合成了三种系列的N-(3,4-二烷氧基亚苄基)-N′-(3′,4′,5′-三烷氧基苯甲酰)酰肼及其镍(II)配合物,[N-(3,4-二烷氧基亚苄基)-N′-(3′,4′,5′-三烷氧基苯甲酰)酰氨基]合镍(II),并对化合物进行了表征。我们还研究了这些类圆盘状化合物的液晶特性。具有十个柔软烷氧基侧链的橙色镍(II)配合物表现出柱状无序液晶相,这一特性通过DSC分析和光学偏振显微镜得到了表征。含有较短侧链(n=5–8)的镍配合物呈现出单变型柱状矩形无序(Colrd)相;然而,具有更长侧链的配合物呈现出单变型(n=10)和同变型(n=12, 14)柱状六方无序(Colhd)相。类似镍配合物(n=14)具有8个侧链时出现柱状六方相,而6个侧链时则形成晶态相。这些柱状无序相的结构通过X射线粉末衍射得到了确认。XRD数据显示,随着侧链长度的增加,液晶相从柱状矩形(Colr)转变为六方排列(Colh)。
• ACTIVE OXYGEN INHIBITOR
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0513387A1

  公开（公告）日：1992-11-19

  An active oxygen inhibitor which contains an azole derivative represented by general formula (1) or a salt thereof as the active ingredient, wherein R¹ represents phenyl which may be substituted by 1 to 3 lower alkoxy groups or by a lower alkyleneoxy group, etc.; R² represents hydrogen, phenyl, halogen, lower alkoxycarbonyl, lower alkyl, lower aminoalkyl which may be substituted by lower alkyl, dihydrocarbostyrilyl, etc.; R³ represents the group (α), wherein R4B represents hydroxy, carboxy, lower alkenyl or lower alkyl, and m represents 0, 1 or 2; and X represents sulfur or oxygen.

  R²代表氢、苯基、卤素、低级烷氧基羰基、低级烷基、可被低级烷基取代的低级氨基烷基、二氢羧基等；R³代表基团（α），其中 R4B 代表羟基、羧基、低级烯基或低级烷基，m 代表 0、1 或 2；X 代表硫或氧。
• Alicyclic phospholipase A2 inhibitors
  申请人：Bristol-Myers Company

  公开号：EP0629604A2

  公开（公告）日：1994-12-21

  Compounds of Formula I: wherein the bonds between C₂ and C3 and/or between C₄ and C₅ are unsaturated; X = COOH, H, F, Cl, Br, I, COOR'', CONH₂, COR''', CHO, CH₂OH, CH₂OR''', OH, OR''', CF₃, C1-6 alkyl, C1-6 alkenyl, C1-6 haloalkyl, NO₂, P(O)(OH)₂, SO₂H, or SO₃H; R = substituted or unsubstituted alkyl, aryl, arylalkyl, alkenyl, or arylalkenyl groups, with the proviso that each of these groups must have 6 or more carbons (preferably 6 to 30) and R cannot be R' = H or C1-6 alkyl; R'' = H, C1-6 alkyl, C(R³)₂OC(O)R⁴, CH₂CH₂NR⁵R⁶, CH₂CH₂CH₂NR⁵R⁶, CH₂C(O)N(R⁶)₂, or other groups yielding physiologically hydrolyzable esters; R''' = C1-6 alkyl; R³ = H, CH₃, C₂H₅, CH₃CH₂CH₂ (with R³'s being the same or different); R⁴ = C6-12 aryl, C1-7 linear, branched or cyclic alkyl, or C1-7 linear, branched or cyclic alkoxy; R⁵ = R⁶, or when linked with R⁶, is a C₃-C₆ cycloalkyl or a -CH₂CH₂OCH₂CH₂-group; and R⁶ = C1-3 alkyl; and pharmaceutically-acceptable salts thereof are effective phospholipase A₂ (PLA₂) inhibitors.

  式 I 的化合物： 其中 C₂ 与 C3 之间和/或 C₄ 与 C₅ 之间的键为不饱和键； X = COOH、H、F、Cl、Br、I、COOR''、CONH₂、COR'''、CHO、CH₂OH、CH₂OR'''、OH、OR'''、CF₃、C1-6 烷基、C1-6 烯基、C1-6 卤代烷基、NO₂、P(O)(OH)₂、SO₂H 或 SO₃H； R = 取代或未取代的烷基、芳基、芳烷基、烯基或芳烷烯基，但这些基团都必须具有 6 个或更多的碳原子（最好是 6 至 30 个），且 R 不能是 R' = H 或 C1-6 烷基； R''=H、C1-6 烷基、C(R³)₂OC(O)R⁴、CH₂CH₂NR⁵R⁶、CH₂CH₂CH₂NR⁵R⁶、CH₂C(O)N(R⁶)₂ 或其他可产生生理性水解酯的基团； R''' = C1-6 烷基； R³ = H、CH₃、C₂H₅、CH₃CH₂CH₂（R³'s 相同或不同）； R⁴ = C6-12 芳基，C1-7 直链、支链或环状烷基，或 C1-7 直链、支链或环状烷氧基； R⁵ = R⁶，或当与 R⁶ 连接时，为 C₃-C₆ 环烷基或-CH₂CH₂OCH₂CH₂基团；以及 R⁶ = C1-3 烷基； 及其药学上可接受的盐是有效的磷脂酶 A₂（PLA₂）抑制剂。
• Biaryl phospholipase A2 inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0664282A1

  公开（公告）日：1995-07-26

  Biaryl compounds, effective phospholipase A₂ (PLA₂) inhibitors of Formulas I and II: wherein: Y= COOH, CH₂CO₂H, H, F, Cl, Br, I, COOR', CH₂CO₂R', CONH₂, COR'', CHO, CH₂OH, CH₂OR'', OH, OR'', CF₃, C₁₋₆ alkyl, C₁₋₆ alkenyl, C₁₋₆ haloalkyl, NO₂, P(O) (OH)₂, SO₂H, or SO₃H; Z= H, F, Cl, Br, I, CONH₂, COR'', CHO, CH₂OH, CH₂OR'', OH, OR'', CF₃, C₁₋₆ alkyl, C₁₋₆ alkenyl, C₁₋₆ haloalkyl, NO₂, P(O)(OH)₂, SO₂H, or SO₃H; X= (CH₂)n, n = 0, 1, or 2; or a cis or trans CH=CH; R= substituted or unsubstituted alkyl, aryl, arylalkyl, alkyloxy, arylalkyloxy, alkenyl, or arylalkenyl groups with the proviso that R must have 8 or more carbons; R'= H, C₁₋₆ alkyl, C(R¹)₂OC(O)R², CH₂CH₂NR³R⁴, CH₂CH₂CH₂NR³R⁴, or other groups yielding physiologically hydrolyzable esters; R''= C₁₋₆ alkyl; R¹= H, CH₃, C₂H₅, CH₂CH₂CH₃; R₂= C₆₋₁₂ aryl, C₁₋₇ linear, branched or cyclic alkyl, or C₁₋₇ linear branched or cyclic alkoxy; R³= R⁴, or, it may be linked with R⁴, to form a C₃-C₆ cycloalkyl or a -CH₂CH₂OCH₂CH₂- group; and R⁴= C₁₋₃ alkyl; or salts thereof.

  式 I 和 II 的有效磷脂酶 A₂（PLA₂）抑制剂--联苯化合物： 其中 Y= COOH、CH₂CO₂H、H、F、Cl、Br、I、COOR'、CH₂CO₂R'、CONH₂、COR''、CHO、CH₂OH、CH₂OR''、OH、OR''、CF₃、C₁₋₆ 烷基、C₁₋₆ 烯基、C₁₋₆ 卤代烷基、NO₂、P(O) (OH)₂、SO₂H 或 SO₃H； Z= H、F、Cl、Br、I、CONH₂、COR''、CHO、CH₂OH、CH₂OR''、OH、OR''、CF₃、C₁₋₆ 烷基、C₁₋₆ 烯基、C₁₋₆ 卤代烷基、NO₂、P(O)(OH)₂、SO₂H 或 SO₃H； X= (CH₂)n，n = 0、1 或 2；或顺式或反式 CH=CH； R= 取代或未取代的烷基、芳基、芳烷基、烷氧基、芳烷氧基、烯基或芳烯基，但 R 必须具有 8 个或 8 个以上碳原子； R'＝H、C₁₋₆烷基、C(R¹)₂OC(O)R²、CH₂CH₂NR³R⁴、CH₂CH₂CH₂NR³R⁴或其他可产生生理性水解酯的基团； R''= C₁₋₆ 烷基； R¹= h、ch₃、c₂h₅、ch₂ch₂ch₃； R₂= C₆₋₁₂ 芳基，C₁₋₇ 直链、支链或环状烷基，或 C₁₋₇ 直链、支链或环状烷氧基； R³= R⁴，或可与 R⁴ 连接，形成 C₃-C₆ 环烷基或 -CH₂CH₂OCH₂CH₂- 基团；以及 R⁴= C₁₋₃ 烷基；或其盐。