N-[4-(5-bromo-pentyloxy)-phenyl]-acetamide | 61270-22-2

• 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: N-[4-(5-bromo-pentyloxy)-phenyl]-acetamide
• 英文别名: N-[4-(5-bromo-pentoxy)-phenyl]-acetamide；N-[4-(5-bromopentoxy)phenyl]acetamide；N-{4-[(5-Bromopentyl)oxy]phenyl}acetamide
• CAS: 61270-22-2
• 化学式: C₁₃H₁₈BrNO₂
• 分子量: 300.195
• InChiKey: OPPOAUGDOQBYLD-UHFFFAOYSA-N

物化性质

• 熔点：
  113-115 °C(Solv: ethanol (64-17-5))
• 沸点：
  461.6±30.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[4-(5-bromo-pentyloxy)-phenyl]-acetamide 在 sodium hydroxide 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 6.0h， 生成 1-[4-[7-[4-[(4-methoxyphenyl)diazenyl]phenoxy]heptoxy]phenyl]-N-[4-[5-[3-[[4-[7-[4-[(4-methoxyphenyl)diazenyl]phenoxy]heptoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
  参考文献：
  名称：

  摘要：

  Three new homologous series of liquid crystal tetramers in which four mesogenic groups are linked via three alkyl spacers have been synthesised and characterised. In each series the length of the outer two spacers, n, is varied from 3 to 12 methylene units while the central spacer is held at 5 methylene units. The three series differ only in the substitution pattern around the inner two mesogenic units. The series in which the inner spacer is attached to the 4-position on both mesogenic groups is referred to as n-p5p-n while n-p5m-n refers to attachment at the 4-position on one group and the 3-position on the other. n-m5m-n refers to attachment at the 3-position on both groups. All the members of the n-p5p-n and n-p5m-n series exhibit nematic behaviour. The nematic-isotropic transition temperatures exhibit a pronounced alternation as the length and parity of the outer spacers are varied but which attenuates as n is increased. By contrast, the odd-even effects shown by the associated entropy changes are not attenuated as n is increased. 4-p5m-4 and 5-p5m-5 also exhibit smectic behaviour. 4-m5m-4 shows a nematic phase and an alternating smectic phase analogous in structure to that observed for certain semi-flexible main chain liquid crystal polymers. The n-m5m-n compounds with n = 6, 8, 9 and 10 also exhibit a nematic phase and a disordered crystalline phase. The trends in the transitional properties of the series are interpreted in terms of average molecular shapes and a model developed to understand the behaviour of liquid crystal dimers.

  DOI：

  10.1039/b104490g
• 作为产物：
  描述：

  1,5-二溴戊烷 、 对乙酰氨基酚 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 生成 N-[4-(5-bromo-pentyloxy)-phenyl]-acetamide
  参考文献：
  名称：

  慢反应物质的拮抗剂。一系列色酮-2-羧酸的合成。

  摘要：

  合成了一系列取代的色酮-2-羧酸，并作为SRS-A诱导的豚鼠回肠收缩收缩的拮抗剂进行了测试。这项工作导致发现7- [3-（4-乙酰基-3-羟基-2-丙基苯氧基）-2-羟基丙氧基] -4-氧代-8-丙基-4H-1-苯并吡喃-2-羧酸钠（FPL 55712 ），这是第一个报道的SRS-A特异性拮抗剂。讨论了该系列生物活性的一些结构要求。

  DOI：

  10.1021/jm00213a012
• 作为试剂：
  描述：

  对乙酰氨基酚 、 1,5-二溴戊烷 、 potassium carbonate 在 丁酮 、 sodium hydroxide 、 水 、 甲醇 、 N-[4-(5-bromo-pentyloxy)-phenyl]-acetamide 作用下， 以 丁酮 、 氯仿 为溶剂， 反应 8.0h， 以to get the desired product N-[4-(5-bromo-pentoxy)-phenyl]-acetamide (11) (2.15 g, 72.15%), mp 110-111° C.的产率得到N-[4-(5-bromo-pentyloxy)-phenyl]-acetamide
  参考文献：
  名称：

  NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL

  摘要：

  本发明特别涉及对乙酰氨基酚的新型硝酸酯。乙酰氨基酚的硝酸酯是通过将乙酰氨基酚与二卤代烷基化合物反应，并随后与硝酸银反应以获得相应的硝酸酯衍生物而制备的。乙酰氨基酚的硝酸酯作为镇痛、抗炎药物是有用的。

  公开号：

  US20100234472A1

文献信息

• [EN] NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL<br/>[FR] DÉRIVÉS DE PARACÉTAMOL LIBÉRANT DE L'OXYDE NITRIQUE
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2009024998A1

  公开（公告）日：2009-02-26

  The present invention particularly relates to novel nitrate esters of paracetamol. The nitrate esters of paracetamol are prepared by reacting the paracetamol with dihaloalkyl compound and followed by reaction with silver nitrate to obtain the corresponding nitrate ester derivatives. The nitrate esters of paracetamol are useful as analgesic, anti-inflammatory agents.

  本发明特别涉及对乙酰氨基酚的新型硝酸酯。通过将对乙酰氨基酚与二卤代烷基化合物反应，然后再与硝酸银反应，制备出相应的硝酸酯衍生物。对乙酰氨基酚的硝酸酯在镇痛、抗炎方面有用。
• Nitric oxide releasing derivatives of paracetamol
  申请人：Council of Scientific and Industrial Research

  公开号：US08207222B2

  公开（公告）日：2012-06-26

  The present invention particularly relates to novel nitrate esters of paracetamol. The nitrate esters of paracetamol are prepared by reacting the paracetamol with dihaloalkyl compound and followed by reaction with silver nitrate to obtain the corresponding nitrate ester derivatives. The nitrate esters of paracetamol are useful as analgesic, anti-inflammatory agents.

  本发明特别涉及对乙酰氨基酚的新型硝酸酯。通过将对乙酰氨基酚与二卤代烷基化合物反应，然后与硝酸银反应，得到相应的硝酸酯衍生物，从而制备出对乙酰氨基酚的硝酸酯。对乙酰氨基酚的硝酸酯在镇痛、抗炎方面具有用途。
• Ashley et al., Journal of the Chemical Society, 1959, p. 3880,3882
  作者：Ashley et al.

  DOI：——

  日期：——
• 363. The chemotherapy of schistosomiasis. Part IV. Some ethers of 4-amino-2-methoxyphenol
  作者：R. F. Collins、M. Davis

  DOI：10.1039/jr9610001863

  日期：——
• APPLETON R. A.; BANTICK J. R.; CHAMBERLAIN T. R.; HARDERN D. N.; LEE T. B+, J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 3, 371-379
  作者：APPLETON R. A.、 BANTICK J. R.、 CHAMBERLAIN T. R.、 HARDERN D. N.、 LEE T. B+

  DOI：——

  日期：——