3,4-di(decyloxy)nitrobenzene | 96174-12-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4-di(decyloxy)nitrobenzene
• 英文别名: 1,2-Didecyloxy-4-nitro-benzol；1,2-Bis(decyloxy)-4-nitrobenzene；1,2-didecoxy-4-nitrobenzene
• CAS: 96174-12-8
• 化学式: C₂₆H₄₅NO₄
• 分子量: 435.648
• InChiKey: CPHOYBSNSBAPLO-UHFFFAOYSA-N

物化性质

• 熔点：
  69-71 °C
• 沸点：
  535.9±30.0 °C(Predicted)
• 密度：
  0.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  31
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-di(decyloxy)nitrobenzene 在 palladium on activated charcoal 一水合肼 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以86%的产率得到3,4-di(decyloxy)phenylamine
  参考文献：
  名称：

  Liquid crystalline properties of bis(salicylaldiminato)copper(II) complexes: the first columnar discotics derived from salicylaldimine Schiff bases

  摘要：

  报道了一组N-(2-羟基-4-正烷氧基苯亚甲基)-3′,4′-二-正烷氧基苯胺及其铜(II)配合物双[(N-3′,4′-二烷氧基苯基)-4-正烷氧基水杨醛亚胺]铜(II)的合成与液晶性质。盘状铜配合物表现出无序的柱状六方相，通过差示扫描量热分析和偏光显微镜进行了表征。通过X射线粉末衍射(XRD)确定了其相结构。与其他类似的金属配位液晶双(水杨醛亚胺)铜(II)配合物相比，这些铜配合物的液晶性质与其分子结构差异有关。

  DOI：

  10.1039/a707091h
• 作为产物：
  描述：

  1,2-(二葵氧荃)苯 在 硝酸 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 3,4-di(decyloxy)nitrobenzene
  参考文献：
  名称：

  Liquid crystalline properties of bis(salicylaldiminato)copper(II) complexes: the first columnar discotics derived from salicylaldimine Schiff bases

  摘要：

  报道了一组N-(2-羟基-4-正烷氧基苯亚甲基)-3′,4′-二-正烷氧基苯胺及其铜(II)配合物双[(N-3′,4′-二烷氧基苯基)-4-正烷氧基水杨醛亚胺]铜(II)的合成与液晶性质。盘状铜配合物表现出无序的柱状六方相，通过差示扫描量热分析和偏光显微镜进行了表征。通过X射线粉末衍射(XRD)确定了其相结构。与其他类似的金属配位液晶双(水杨醛亚胺)铜(II)配合物相比，这些铜配合物的液晶性质与其分子结构差异有关。

  DOI：

  10.1039/a707091h

文献信息

• Bent-core luminescent and electroactive bis(triazolyl)triazines with compact columnar mesomorphism
  作者：Eduardo Beltrán、Beatriz Robles-Hernández、Nerea Sebastián、José Luis Serrano、Raquel Giménez、Teresa Sierra

  DOI：10.1039/c4ra02926g

  日期：——

  The bulk self-assembly of bent-core molecules based on the novel structure 2-methoxy-4,6-bis(1′,2′,3′-triazol-4′-yl)-1,3,5-triazine is reported together with their luminescent and electrochemical properties. Two families of compounds with lateral branches of different lengths have been investigated. Columnar mesomorphism with short stacking distances and periodic twisted structures were found. A compound exhibiting two hexagonal columnar mesophases that show different emission spectra and a transition from a bimolecular assembly to a unimolecular assembly is described.

  报告了基于新型结构 2-甲氧基-4,6-双(1′,2′,3′-三唑-4′-基)-1,3,5-三嗪的弯曲核分子的批量自组装及其发光和电化学特性。研究了两个具有不同长度侧枝的化合物家族。发现了具有短堆积距离和周期性扭曲结构的柱状介形。一种化合物呈现出两种六角柱状介相，显示出不同的发射光谱，并从双分子组装过渡到单分子组装。
• Intermediates for the production of N-substituted anilines, inhibitors
  申请人：Hoffmann-La Roche Inc.

  公开号：US05446189A1

  公开（公告）日：1995-08-29

  Compounds of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, n, m, o, p, and q are as hereinafter set forth, and, when R.sub.2 is hydrogen, pharmaceutically acceptable salts thereof with bases, are described. The compounds of formula 1 are potent inhibitors of phospholipases A.sub.2 (PLA.sub.2 's) and are therefore useful in the treatment of inflammatory diseases, such as psosiasis, inflammatory bowel disease, asthma, allergy, arthritis, dermatitis, gout, pulmonary disease, myocardial ischemia/reperfusion, and trauma induced inflammation, such as spinal cord injury.

  本发明涉及化合物的配方##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8、n、m、o、p和q如下所述，当R.sub.2为氢时，其与碱的药物可接受的盐也被描述。式1的化合物是磷脂酶A.sub.2（PLA.sub.2's）的有效抑制剂，因此在治疗炎症性疾病，如牛皮癣、炎症性肠病、哮喘、过敏、关节炎、皮炎、痛风、肺部疾病、心肌缺血/再灌注以及创伤引起的炎症，如脊髓损伤中有用。
• N-substituted anilines, inhibitors of phospholipases A.sub.2
  申请人：Hoffmann-La Roche Inc.

  公开号：US05324747A1

  公开（公告）日：1994-06-28

  Compounds of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, n, m, o, p and q are as hereinafter set forth, and, when R.sub.2 is hydrogen, pharmaceutically acceptable salts thereof with bases, are described. The compounds of formula 1 are potent inhibitors of phospholipases A.sub.2 (PLA.sub.2 's) and are therefore useful in the treatment of inflammatory diseases, such as psosiasis, inflammatory bowel disease, asthma, allergy, arthritis, dermatitis, gout, pulmonary disease, myocardial ischemia/reperfusion, and trauma induced inflammation, such as spinal cord injury.

  化合物的化学式为##STR1##其中R.sub.1，R.sub.2，R.sub.3，R.sub.4，R.sub.5，R.sub.6，R.sub.7，R.sub.8，n，m，o，p和q如下所述，当R.sub.2为氢时，与碱形成的药学上可接受的盐也被描述。化学式1的化合物是磷脂酶A.sub.2（PLA.sub.2's）的有效抑制剂，因此在治疗炎症性疾病，如牛皮癣、炎症性肠病、哮喘、过敏、关节炎、皮炎、痛风、肺部疾病、心肌缺血/再灌注和创伤引起的炎症，如脊髓损伤方面有用。
• N-substituted anilines
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0579066A2

  公开（公告）日：1994-01-19

  57 Compounds of the formula wherein R1 is hydrogen or -(CH2)mCOOR2; R2 is hydrogen, (R6)2N(CH2)2-, R6COOCH2- or -CH2CON(CH2CH20H)2; R3 is hydrogen, nitro, hydroxy, amino, CH3(CH2) nS(O)0-2-, CH3(CH2)n-,CH3(CH2)nO- ,R5COO-, RsOOC- ,R5HNCOO-, RsNHCO-, RsCONH-, RsNHCONH-, [CH3(CH2)n]2NCO- , CH3(CH2)nCHOHCH20-, (2-quinolinyl)methoxy, oleyloxy, linoleyloxy, R8OOC(CH2)t-O, (R6 0)2 PO(CH2)pO- , (HO) (R60)PO(CH2)pO- , R6[O(CH2)2]qO- , R7(CH2)pO-, or -O(CH2)p-pyridinium+(OH-); R4 is CH3(CH2) n- , CH3(CH2)nO- , CF3SO2NH-, RsCOO-, RsOOC- ,R5HNCOO-, RsNHCO-, RsCONH-RsNHCONH-, [CH3(CH2)n]2NCO-, CH3(CH2)nCHOHCH20-, carboxy, (2-quinolinyl)methoxy, oleyloxy, linoleyloxy, R8OOC(CH2)tO-, R6[O(CH2)2]qO- , or R7(CH2)pO-; R5 is CH3(CH2)n-, 1-adamantyl or diphenylmethyl; R6 is lower alkyl; R7 is 1- or 2 -naphthyloxy, 1-, 2- or 3-pyridinyloxy, 2,3- or 3,4-dihydroxyphenyl, 6,7-dihydroxy-2-naphthyl, phenyl, phenoxy or substituted phenyl or phenoxy, wherein the substituent is selected from the group consisting of lower alkyl, lower alkoxy, hydroxy, nitro, amino, halo, R6 S(O)0-2-, carboxy, carboxy-lower alkyl or phenyl; R8 is hydrogen or lower alkyl; n is an integer from 0 to 17; m is an integer from 1 to 3; t is an integer from 1 to 10; p is an integer from 2 to 18, and q is an integer from 1 to 6; and when R2 is hydrogen, a pharmaceutically acceptable salt thereof with a base, are potent inhibitors of phospholipases A2 (PLA2's) and are therefore useful in the treatment of inflammatory diseases, such as psosiasis, inflammatory bowel disease, asthma, allergy, arthritis, dermatitis, gout, pulmonary disease, myocardial ischemia/reperfusion, and trauma induced inflammation, such as spinal cord injury.

  57 式中的化合物 式中 R1 是氢或-(CH2)mCOOR2； R2 是氢、(R6)2N(CH2)2-、R6COOCH2- 或-CH2CON(CH2CH20H)2； R3 是氢、硝基、羟基、氨基、CH3(CH2)nS(O)0-2-、CH3(CH2)n-、CH3(CH2)nO-、R5COO-、RsOOC-、R5HNCOO-、RsNHCO-、RsCONH-、RsNHCONH-、[CH3(CH2)n]2NCO-、CH3(CH2)nCHOHCH20-、(2-quinolinyl)methoxy, oleyloxy, linoleyloxy, R8OOC(CH2)t-O, (R6 0)2 PO(CH2)pO-, (HO) (R60)PO(CH2)pO-, R6[O(CH2)2]qO-, R7(CH2)pO-, 或-O(CH2)p-吡啶鎓+(OH-)； R4 是 CH3(CH2)n- ，CH3(CH2)nO- ，CF3SO2NH- ，RsCOO- ，RsOOC- ，R5HNCOO- ，RsNHCO- ，RsCONH-RsNHCONH- ，[CH3(CH2)n]2NCO- 、R8OOC(CH2)tO-、R6[O(CH2)2]qO- 或 R7(CH2)pO-； R5 是 CH3(CH2)n-、1-金刚烷基或二苯基甲基； R6 是低级烷基 R7 是 1-或 2-萘氧基，1-、2-或 3-吡啶氧基，2,3-或 3,4-二羟基苯基，6,7-二羟基-2-萘基，苯基，苯氧基或取代的苯基或苯氧基，其中取代基选自由低级烷基、低级烷氧基、羟基、硝基、氨基、卤代、R6 S(O)0-2-、羧基、羧基-低级烷基或苯基组成的组； R8 是氢或低级烷基； n 是 0 至 17 的整数； m 是 1 至 3 的整数； t 是 1 至 10 的整数； p 是 2 至 18 的整数，和 q 是 1 至 6 的整数； 以及当 R2 为氢时，其与碱的药学上可接受的盐，是磷脂酶 A2（PLA2）的强效抑制剂，因此可用于治疗炎症性疾病，如银屑病、炎症性肠病、哮喘、过敏、关节炎、皮炎、痛风、肺部疾病、心肌缺血/再灌注，以及创伤引起的炎症，如脊髓损伤。
• A New Class of Discotic Mesogens Derived from Tris(<i>N</i>-salicylideneaniline)s Existing in <i>C</i>₃<i>_h</i> and <i>C</i><i>_s</i> Keto-Enamine Forms
  作者：Channabasaveshwar V. Yelamaggad、Ammathnadu S. Achalkumar、D. S. Shankar Rao、S. Krishna Prasad

  DOI：10.1021/jo0712650

  日期：2007.10.1

  Two series of a unique class of columnar liquid crystals derived from tris(N-salicylideneaniline)s [TSANs] in which the proton and the electron interact with each other through the H-bonding environment are reported. The synthesis is carried out by condensing 1,3,5-triformylphloroglucinol with the respective dialkoxyanilines or trialkoxyanilines. H-1 NMR and H-1-H-1 COSY NMR studies revealed their existence as an inseparable mixture of two keto-enamine tautomeric forms with C-3h and C-s rotational symmetries instead of the expected enol-imine form. The influence of the number of peripheral alkoxy tails on the columnar mesomorphic behavior is investigated by using polarizing optical microscopy, differential scanning calorimetry, and X-ray scattering. The fluid/glassy columnar states probed for a number of representative compounds confirmed the D-6h (hexagonal) or D-2h (rectangular) symmetry of the columns. The electronic absorption and emission characteristics of these compounds have been studied in both mesomorphic and solution states. Of special interest, the photoluminescence spectra of solution and fluid/ glassy two-dimensional structure evidently disclose the promising light generating capability of these new discotics systems.