4-hydroxy-4'-methoxybenzyl benzoate | 110929-34-5

• 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: 4-hydroxy-4'-methoxybenzyl benzoate
• 英文别名: 4-methoxybenzyl 4-hydroxybenzoate；Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester；(4-methoxyphenyl)methyl 4-hydroxybenzoate
• CAS: 110929-34-5
• 化学式: C₁₅H₁₄O₄
• 分子量: 258.274
• InChiKey: RELJKYBOPGHDNL-UHFFFAOYSA-N

物化性质

• 沸点：
  426.8±25.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-正戊氧基苯甲酰氯 、 4-hydroxy-4'-methoxybenzyl benzoate 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Effect of a Central Group on Mesomorphism

  摘要：

  A novel homologous series: 4-(4 '-n-alkoxy benzoyloxy)-4('')-methoxy benzyl benzoates is studied with a view to understanding the effect of a central group on the phenomenon of mesomorphism. The novel homologous series consists of eleven compounds. Mesomorphism commences from the second member of a series. All the mesogenic homologues from ethoxy to hexadecyloxy exhibit nematogenic mesomorphism without the exhibition of smectogenic character. The nematic-isotropic transition curve of the phase diagram behaves in normal manner up to the dodecyloxy homologue and then deviated for the tetradecyloxy and hexadecyloxy homologues. The solid-isotropic or nematic transition curve adopts a normal behavior in a zigzag manner. The nematic-isotropic transition curve shows an odd-even effect and continues up to the octyloxy homologue. Transition and melting temperatures including the textures of mesophases are determined by an optical polarizing microscope, equipped with a heating stage. The textures of the nematic mesophase are threaded or Schlieren in type. Analytical data and spectral data support the molecular structures. The mesomorphic behavior of the present series is compared with structurally similar other known series of differing central group (viz. -N=N- and -CO-CH=CH-) keeping rest of a molecular part unchanged. The nematic thermal stability of the series is 236.8 degrees C of a high melting type present series whose nematogenic mesophase length varies between 27 degrees C and 98 degrees C. Thus, series is only nematogenic without exhibition of a smectic mesophase.

  DOI：

  10.1080/15421406.2014.939601
• 作为产物：
  描述：

  4-甲氧基苄醇 、 对羟基苯甲酸 在 二正丁基氧化锡 作用下， 以33%的产率得到4-hydroxy-4'-methoxybenzyl benzoate
  参考文献：
  名称：

  Mesomorphism and Molecular Structure: Novel Homologous Series 4-(4′-n-alkoxy cinnamoyloxy)-4′′-methoxy Benzyl Benzoates

  摘要：

  A novel homologous series consists of 11 homologues, studied with a view to understand and establish the relations between mesomorphism and molecular structure of novel substances. All the novel members of a series except methoxy and pentyloxy homologue derivatives are liquid crystalline [LC] in nature. Mesomorphism commences from a second member of a series ethoxy, propyloxy, butyloxy, and hexyloxy to hexadecyloxy homologue derivatives are nematogenic while decyloxy, dodecyloxy, and tetradecyloxy homologue derivatives are smectogenic, in addition to nematogenic. All mesogenic homologues of a series are enantiotropic mesomorphic. Phase transition curve for Smectic-Nematic behave in normal manner without exhibition of odd-even effect, whereas nematic-isotropic transition curve adopts serpentile shape as rising and falling nature with exhibition of very minor odd-even effect. Textures of nematic phase are threaded or schlieren and that of a smectic mesophase is a focal conic fan shaped of the type smectic A or C. Analytical and spectral data supported molecular structures of homologues. The mesomorphic behaviors of present series are compared with a structurally similar other known series. Smectic and nematic thermal stabilities are 182.6 and 246.0 degrees C, respectively. Present series is partly smectogenic and predominantly nematogenic with considerable degree of mesomorphism (maximum 100 degrees C) and high melting type.

  DOI：

  10.1080/15421406.2014.930220

文献信息

• Non-nucleoside reverse transcriptase inhibitors
  申请人：——

  公开号：US20020128301A1

  公开（公告）日：2002-09-12

  Non-nucleoside reverse transcriptase inhibitors of formula (P-1) wherein: Ar1 is an unsaturated, optionally substituted, mono or bicyclic ring structure comprising 0 to 3 hetero atoms selected from S, O and N; Ar2 is an aromatic, optionally substituted, monocyclic ring structure comprising at least one nitrogen hetero atom and zero to two further hetero atoms selected from S, O and N; R4 and R5 are independently H or C 3 -C 8 cycloalkyl, C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, C 1 -C 5 alkoxy, C 1 -C 4 alkanoyloxy, C 1 -C 4 alkylthio, amino, carboxy, carbamoyl, cyano, halo, hydroxy, aminomethyl, hydroxymethyl, carboxymethyl, or halo substituted C 1 -C 6 alkyl mercapto, nitro; or R4 and RS join to form a 3-6 membered, optionally substituted ring structure; R6 is 0 or S; Rx is the residue of a natural or unnatural amino acid; and L* is a linker moiety which is ether-, carbonate- or ester-bound to the adjacent oxygen and ester linked to Rx; and pharmaceutically acceptable salts thereof are anti-HIV agents with favourable pharmacokinetic properties.

  非核苷类逆转录酶抑制剂的化学式（P-1），其中：Ar1是一种不饱和的、可选择取代的、单环或双环结构，包括0至3个来自S、O和N的杂原子；Ar2是一种芳香的、可选择取代的、单环结构，包括至少一个氮杂原子和0至2个来自S、O和N的进一步杂原子；R4和R5独立地是H或C3-C8环烷基、C1-C6烷基、C2-C6烯基、C2-C6炔基、C1-C5烷氧基、C1-C4烷酰氧基、C1-C4烷基硫氧基、氨基、羧基、氨基甲酰基、氢氰基、卤素基、羟基、氨甲基、羟甲基、羧甲基或卤素取代的C1-C6烷基巯基、硝基；或者R4和RS结合形成一个3-6成员的、可选择取代的环结构；R6是0或S；Rx是天然或非天然氨基酸的残基；L*是与相邻氧原子以醚键、碳酸酯键或酯键相连的连接基团，与Rx酯键相连；以及其药学上可接受的盐是具有良好药代动力学性质的抗HIV药物。
• Prodrugs
  申请人：MEDIVIR AB

  公开号：US20030186924A1

  公开（公告）日：2003-10-02

  A method for treatment of HBV and HIV infections comprising administering the compound or salt of formula Ig 1

  一种治疗HBV和HIV感染的方法，包括给予化合物或公式Ig1的盐。
• Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine
  申请人：Zhou Xiao-Xiong

  公开号：US20060122383A1

  公开（公告）日：2006-06-08

  A method for treatment of HBV and HIV infections comprising administering the compound or salt of formula Ig

  一种治疗HBV和HIV感染的方法，包括给予化合物或公式Ig的盐。
• ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE
  申请人：Zhou Xiao-Xiong

  公开号：US20060058259A1

  公开（公告）日：2006-03-16

  A method for treatment of HBV and HIV infections comprising administering the compound or salt of formula Ig

  一种治疗乙型肝炎和人类免疫缺陷病毒感染的方法，包括给予公式Ig的化合物或盐。
• Novel Inhibitors Of Beta-Lactamase
  申请人：Besterman M. Jeffrey

  公开号：US20070293675A1

  公开（公告）日：2007-12-20

  The intention relates to bacterial antibiotic resistance and, in particular, to compositions and methods for overcoming bacterial antibiotic resistance. The invention provides novel β-lactamase inhibitors, which are structurally unrelated to the natural product and semi-synthetic β-lactamase inhibitors presently available, and which do not require a β-lactam pharmacophore. The invention also provides pharmaceutical compositions and methods for inhibiting bacterial growth.

  本发明涉及细菌抗生素耐药性，特别是涉及克服细菌抗生素耐药性的组合物和方法。本发明提供了新型β-内酰胺酶抑制剂，其与目前已有的天然产物和半合成β-内酰胺酶抑制剂在结构上无关，且不需要β-内酰胺药效团。本发明还提供了用于抑制细菌生长的药物组合物和方法。