6-(4-羟基苯基)己酸乙酯 | 62889-60-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6-(4-羟基苯基)己酸乙酯
• 英文名称: ethyl 6-(4-hydroxyphenyl)hexanoate
• 英文别名: 6-(4-Hydroxyphenyl)capronsaeureaethylester
• CAS: 62889-60-5
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: NJAFVYVDZQYPMU-UHFFFAOYSA-N

物化性质

• 沸点：
  148-150 °C(Press: 0.15 Torr)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  8
• 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：

  6-(4-羟基苯基)己酸乙酯 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 三乙胺 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 生成 6-{4-[Dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-phenyl}-hexanal
  参考文献：
  名称：

  Materials chemistry of chiral macromolecules. 1. Synthesis and phase transitions

  摘要：

  This paper describes work on synthesis of chiral macromolecules as part of a materials chemistry study which seeks to establish links in these systems among molecular structure, three-dimensional molecular organization, and properties. The basic materials chemistry hypothesis driving this work is that chiral forces among stereogenic centers may serve as guiding fields to organize polymers in two or three dimensions. It follows that physical properties could be directly or indirectly controlled by chirality. In order to promote strong forces among chiral centers the chains were designed to have stereogenic carbons substituted by the strongly dipolar cyano group and spaced by 16 atoms along the backbone. The preparative chemistry of chiral macromolecules is challenging given the limited number of polymerization methodologies and the inherent translational periodicity of synthetic polymers. We have synthesized here low symmetry chiral macromolecules in which the only symmetry element retained is polar translation; achiral homologues lacking the nitrile function, the configurationally disordered polymer, and dimeric model compounds were prepared as well. The compounds exhibited crystalline and liquid crystalline phases, and significant differences were observed among homologues through differential scanning calorimetry and optical microscopy. The substitution of nitrile groups every 16 atoms along the polymer backbone, specially with configurational disorder, leads to glassy or less ordered condensed phases. In some Polymers when the strongly dipolar stereogenic centers do not have preferred handedness, chains organize into mesophases rather than crystalline structures. This is surprising since the concentration of stereogenic centers is extremely dilute. Using dimeric model compounds, homochiral recognition among stereogenic centers with large dipole moments was identified as an important factor in the assembly of molecules into layered structures. Interestingly, catenation of the dipolar stereogenic centers in polymeric compounds apparently leads to layered structures even when configurational disorder exists along the polymer backbone. This type of structural control could be extremely useful as an approach to tune physical properties of polymeric materials.

  DOI：

  10.1021/ja00035a041
• 作为产物：
  描述：

  6-(4-羟苯基)己酸 生成 6-(4-羟基苯基)己酸乙酯
  参考文献：
  名称：

  AULTZ D. E.; MCFADDEN A. R., J. MED. CHEM. , 1977, 20, NO 11, 1499-1501

  摘要：

  DOI：

文献信息

• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267A1

  公开（公告）日：2005-07-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and a typical acid-fast bacteria.

  本发明提供了由以下通式代表的 2，3-二氢-6-硝基咪唑并[2，1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和典型的耐酸细菌有很好的杀菌作用。
• Hypolipidemic analogs of ethyl 4-benzyloxybenzoate
  作者：Keith H. Baggaley、Robin Fears、Richard M. Hindley、Brian Morgan、Elspeth Murrell、David E. Thorne

  DOI：10.1021/jm00221a007

  日期：1977.11

  A series of compounds related to ethyl 4-benzyloxybenzoate was synthesized and evaluated for potential hypolipidemic activity in rats. Structure--activity relationships are discussed in terms of cholesterol-lowering activity together with effects on weight gain and liver lipids. A number of the compounds inhibited cholesterol and free fatty acid biosynthesis from [1-14C]acetate in rat liver slices in vitro. Ethyl 4-benzyloxybenzoate, ethyl-4-benzyloxybenzoic acid, ethyl 4-p-bromobenzyloxybenzoates, and 4-o-methoxybenzyloxyphenyl acetate exhibited the most favorable spectrum of activity.
• Design and Structural Optimization of Dual FXR/PPARδ Activators
  作者：Simone Schierle、Sebastian Neumann、Pascal Heitel、Sabine Willems、Astrid Kaiser、Julius Pollinger、Daniel Merk

  DOI：10.1021/acs.jmedchem.0c00618

  日期：2020.8.13

  Nonalcoholic steatohepatitis (NASH) is considered as severe hepatic manifestation of the metabolic syndrome and has alarming global prevalence. The ligand-activated transcription factors farnesoid X receptor (FXR) and peroxisome proliferator-activated receptor (PPAR) delta have been validated as molecular targets to counter NASH. To achieve robust therapeutic efficacy in this multifactorial pathology, combined peripheral PPAR delta-mediated activity and hepatic effects of FXR activation appear as a promising multitarget approach. We have designed a minimal dual FXR/PPAR delta activator scaffold by rational fusion of pharmacophores derived from selective agonists. Our dual agonist lead compound exhibited weak agonism on FXR and PPAR delta and was structurally refined to a potent and balanced FXR/PPAR delta activator in a computer-aided fashion. The resulting dual FXR/PPAR delta modulator comprises high selectivity over related nuclear receptors and activates the two target transcription factors in native cellular settings.
• 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267B1

  公开（公告）日：2013-01-16