1-(2-hydroxy-4-(decyloxy)phenyl)ethanone | 143286-86-6

• 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-(decyloxy)phenyl)ethanone
• 英文别名: 1-(4-Decoxy-2-hydroxyphenyl)ethanone
• CAS: 143286-86-6
• 化学式: C₁₈H₂₈O₃
• 分子量: 292.419
• InChiKey: HFTBNZIGEXLAGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  35°C
• 沸点：
  423.5±25.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 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-(decyloxy)phenyl)ethanone 在 盐酸羟胺 、 potassium acetate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 4-Decyloxyacetophenonoxim
  参考文献：
  名称：

  Synthese von 4-Alkoxy-2-hydroxyphenylketoximen als Metallextraktions-Reagenzien

  摘要：

  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.

  DOI：

  10.1002/prac.19923340313
• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 癸基溴 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 1-(2-hydroxy-4-(decyloxy)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

• Potent Inhibitors of Acyl-CoA:Cholesterol Acyltransferase. Structure-Activity Relationships of Novel N-(4-Oxo-8-chromanyl) amides
  作者：Ken-ichiro Kataoka、Tatsuki Shiota、Takumi Takeyasu、Tsutomu Mochizuki、Keiko Taneda、Mikio Ota、Hirofumi Tanabe、Hisao Yamaguchi

  DOI：10.1021/jm00016a021

  日期：1995.8

  Novel N-(4-oxochroman-8-yl)amide derivatives 1 were synthesized and tested for their ability to inhibit rabbit small intestinal ACAT (acyl-CoA:cholesterol acyltransferase) in vitro and to lower serum total cholesterol in cholesterol-fed rats in vivo. Among the synthesized compounds, N-(7-alkoxy-4-oxochroman-8-yl)amide derivatives showed potent ACAT inhibitory activity both in vitro and in vivo. The

  合成了新型N-（4-氧代苯并二氢吡喃-8-基）酰胺衍生物1并测试了它们在体外抑制兔小肠ACAT（酰基-CoA：胆固醇酰基转移酶）并降低胆固醇喂养大鼠血清总胆固醇的能力。体内。在合成的化合物中，N-（7-烷氧基-4-氧代苯并吡喃-8-基）酰胺衍生物在体外和体内均显示出有效的ACAT抑制活性。在这两种测定的基础上，讨论了这些N-（4-氧代苯并吡喃-8-基）酰胺和相关化合物的构效关系。4-苯并二氢吡喃酮第4位的羰基对于有效的ACAT抑制活性至关重要。N-（色胺基-8-基）衍生物的效力不如N-（4-氧代色烷-8-基）衍生物。4-苯并二氢吡喃酮部分第7位的烷氧基对于有效的ACAT抑制活性很重要。在N-（7-烷氧基-4-氧代苯并二氢吡喃-8-基）酰胺衍生物中，引起有效ACAT抑制活性的另一个必要因素是分子的亲脂性。高度亲脂性酰胺N-（7-甲氧基-4-氧代苯并吡喃-8-基）-2,2-二甲基十二烷酰胺（3
• H–bonded mesogenic unsymmetric bis-heterocycles
  作者：Gou-Wei Luo、Chien-Yu Hu、Zih-Yang Lei、Gene-Hsiang Lee、Chung K. Lai

  DOI：10.1016/j.molliq.2018.03.095

  日期：2018.7

  Five new series of bis−heterocycles containing isoxazole and pyrazole were reported, and their mesomorphic properties were investigated. A polar phenolic−OH group incorporated in compounds 1b–c and 1e is to probe the possible H−bonds induced. Two single crystals of mesogenic compounds 1a and 1b (all n = 8) were obtained, and their single crystal and molecular structure were resolved. Intra− and intermolecular

  报道了五个新的含有异恶唑和吡唑的双杂环系列，并研究了它们的介晶性质。化合物1b – c和1e中引入的极性酚基-OH是为了探测可能诱导的氢键。获得了介晶化合物1a和1b的两个单晶（均为n  = 8），并解析了它们的单晶和分子结构。在两个晶格中观察到的分子内和分子间的H键可能归因于这些双杂环结构中中间相的形成。CH-π相互作用也很重要。所有前体2a - d是介晶的，给出N，SmA或/和SmC相，但是其他化合物2e不是介晶的。另一方面，双杂环化合物1a - c是介晶的，表现出SmC或SmA相，而其他化合物1d-e不是介晶的。从核中固有地诱发的形状效应和H键可能归因于这些双杂环中间相的形成。所有衍生物 在TGA上低于T = 299-327°C的温度下均显示出良好的稳定性。所有化合物1a - e的PL光谱在λmax  = 317-386 nm处显示一个强烈的峰，这些光致发光发射源于杂环核。
• BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP0598117A1

  公开（公告）日：1994-05-25

  An antiallergic agent with a low toxicity and an excellent efficacy, containing a benzopyran derivative represented by general formula (I) as the active ingredient, wherein R¹ and R² represent each hydrogen, acyl, C₁ to C₁₂ alkyl or C₂ to C₁₀ alkenyl; and R³ represents hydroxy, acyloxy, C₁ to C₁₀ alkoxy or C₂ to C₁₀ alkenyloxy.

  一种低毒、高效的抗过敏剂，含有通式(I)代表的苯并吡喃衍生物作为活性成分，其中R¹和R²分别代表氢、酰基、C₁至C₁₂烷基或C₂至C₁₀烯基；和 R³ 代表羟基、酰氧基、C₁至 C₁₀ 烷氧基或 C₂ 至 C₁₀ 烯氧基。
• 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：——
• 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.