1-(2-hydroxy-4-(hexyloxy)phenyl)ethanone | 143286-85-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-hydroxy-4-(hexyloxy)phenyl)ethanone
• 英文别名: 1-(4-Hexoxy-2-hydroxyphenyl)ethanone
• CAS: 143286-85-5
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: YAZMUEDOIPWFBU-UHFFFAOYSA-N

物化性质

• 熔点：
  22°C
• 沸点：
  369.4±22.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxy-4-(hexyloxy)phenyl)ethanone 在 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 124.0h， 生成 2-hydroxy-4,4'-dihexoxy-α,α'-dimethylbenzalazine
  参考文献：
  名称：

  三个同系4,4'-二烷氧基-α,α'-二甲基苯扎嗪的合成及介晶性质比较研究（I

  摘要：

  摘要 合成了三个同源系列的 α,α'-二甲基苯并嗪：4,4'-二烷氧基-α,α'-二甲基苯并嗪、4,4'-二烷氧基-2,2'-二羟基-α,α'-二甲基苯并嗪, 和 4,4'-二烷氧基-2-羟基-α,α'-二甲基苯扎嗪。研究了分子结构对介晶性质的影响。使用偏光热台显微镜和差示扫描量热计测定介晶性质和相变。在芳环（4,4'-二烷氧基-2-羟基-α,α'-二甲基苯并嗪和4,4'-二烷氧基-2）的2-或2-和2'-位置引入一个或两个羟基,2'-二羟基-α,α'-Dimethylbenzalazines) 使分子具有优良的介晶质量，并且这些系列的所有制备的化合物都表现出介晶现象。具有两个羟基的系列化合物表现出近晶多晶型现象，而其他系列的化合物则不然。4,4'-二烷氧基-2-...

  DOI：

  10.1080/00268948308083083
• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 溴己烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 1-(2-hydroxy-4-(hexyloxy)phenyl)ethanone
  参考文献：
  名称：

  三个同系4,4'-二烷氧基-α,α'-二甲基苯扎嗪的合成及介晶性质比较研究（I

  摘要：

  摘要 合成了三个同源系列的 α,α'-二甲基苯并嗪：4,4'-二烷氧基-α,α'-二甲基苯并嗪、4,4'-二烷氧基-2,2'-二羟基-α,α'-二甲基苯并嗪, 和 4,4'-二烷氧基-2-羟基-α,α'-二甲基苯扎嗪。研究了分子结构对介晶性质的影响。使用偏光热台显微镜和差示扫描量热计测定介晶性质和相变。在芳环（4,4'-二烷氧基-2-羟基-α,α'-二甲基苯并嗪和4,4'-二烷氧基-2）的2-或2-和2'-位置引入一个或两个羟基,2'-二羟基-α,α'-Dimethylbenzalazines) 使分子具有优良的介晶质量，并且这些系列的所有制备的化合物都表现出介晶现象。具有两个羟基的系列化合物表现出近晶多晶型现象，而其他系列的化合物则不然。4,4'-二烷氧基-2-...

  DOI：

  10.1080/00268948308083083

文献信息

• PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS
  申请人：SYNTRIX BIOSYSTEMS, INC.

  公开号：US20140206647A1

  公开（公告）日：2014-07-24

  There is disclosed pyridine- and pyrimidinecarboxamide compounds useful as pharmaceutical agents, synthesis processes, and pharmaceutical compositions which include pyridine- and pyrimidinecarboxamides compounds. More specifically, there is disclosed a genus of CXCR2 inhibitor compounds that are useful for treating a variety of inflammatory and neoplastic disorders.

  本发明公开了吡啶和嘧啶羧酰胺化合物，可用作药物治疗剂，合成过程和包括吡啶和嘧啶羧酰胺化合物的制药组合物。更具体地，本发明公开了一类CXCR2抑制剂化合物，可用于治疗各种炎症和肿瘤性疾病。
• PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS
  申请人：Syntrix Biosystems, Inc.

  公开号：EP3725775A1

  公开（公告）日：2020-10-21

  There is disclosed pyridine-and pyrimidinecarboxamide compounds useful as pharmaceutical agents, synthesis processes, and pharmaceutical compositions which include pyridine-and pyrimidinecarboxamides compounds. More specifically, there is disclosed a genus of CXCR2 inhibitor compounds that are useful for treating a variety of inflammatory and neoplastic disorders.

  本发明公开了可用作药物制剂的吡啶和嘧啶甲酰胺化合物、合成工艺以及包括吡啶和嘧啶甲酰胺化合物的药物组合物。更具体地说，本发明公开了一种 CXCR2 抑制剂化合物，可用于治疗各种炎症和肿瘤性疾病。
• Lai, Chung K.; Chen, Fuh-Gue; Ku, Yu-Ju, Journal of the Chemical Society, Dalton Transactions, 1997, # 24, p. 4683 - 4687
  作者：Lai, Chung K.、Chen, Fuh-Gue、Ku, Yu-Ju、Tsai, Chun-Hsien、Lin, Raymond

  DOI：——

  日期：——
• Synthese von 4-Alkoxy-2-hydroxyphenylketoximen als Metallextraktions-Reagenzien
  作者：J. Beger、H.-J. Binte、L. Brunne、R. Neumann

  DOI：10.1002/prac.19923340313

  日期：——

  The C-Acylation (Friedel-Crafts reaction) of resorcinol with aluminium chloride, the monoetherification in 4-position of the resulting 2,4-dihydroxyphenylketones, and the preparation of oximes (8, 9, 10, 11) from this ketones were investigated. The compounds obtained are characterized by elemental analysis, and the i.r., u.v. and H-1-n.m.r. spectra are discussed. Solubility data of some oximes are determined in water, octane and toluene. The extraction properties for copper-(II)-and iron-(III)-ions are measured by isotope methods in relation to the extragent structure, the extraction time and the pH-range.
• Mesogenic bis-heterocycles incorporating both pyrazole and isoxazole
  作者：Yu-Lun Li、Gene-Hsiang Lee、Chung K. Lai

  DOI：10.1016/j.tet.2015.06.021

  日期：2015.8

  Two new series of mesogenic bis-heterocyclic derivatives containing pyrazoles and isoxazoles 1a-b were reported. One single crystallographic structure of mesogenic 2a (n=8) was determined by X-ray analysis, and it crystallizes in a triclinic space group P-1, with a=7.0511(2), b=7.6303(2) and c=21.2143(5) angstrom, and Z=2. The crystal was considered as slightly bent-shaped molecule with a molecular length of ca. similar to 24.9 angstrom. A dimeric correlated structure induced by H-bonds was observed in the crystal lattice, which was favorable to the formation of mesophases. All compounds 1-2 exhibited N, SmA, N/SmC or SmA/SmC phases, as expected for linear-shaped molecules. All compounds 1 have higher clearing temperatures and wider ranges of mesophases than those of their precursors 2, which might be attributed to have higher dipoles polarized by two heterocyclic rings in 2. (C) 2015 Elsevier Ltd. All rights reserved.