4'-乙基-4-联苯基羰基氯化物 | 92119-00-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4'-乙基-4-联苯基羰基氯化物
• 英文名称: 4′-ethyl-[1,1′-biphenyl]-4-carbonyl chloride
• 英文别名: 4'-Ethylbiphenyl-4-carbonyl chloride；4-(4-ethylphenyl)benzoyl chloride
• CAS: 92119-00-1
• 化学式: C₁₅H₁₃ClO
• 分子量: 244.721
• InChiKey: KCQXJABRHPKBDC-UHFFFAOYSA-N

物化性质

• 沸点：
  360.3±31.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4'-乙基-4-联苯基羰基氯化物 在 吡啶 、 4-二甲氨基吡啶 、 sodium hydroxide 、 硫化氢 、 ammonium acetate 、 三乙胺 、 碘甲烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 (E)-(2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-ethyl-biphenyl-4-carbonyl)-amino]-5-phenyl-pent-4-enoic acid
  参考文献：
  名称：

  Identification and Initial Structure−Activity Relationships of a Novel Class of Nonpeptide Inhibitors of Blood Coagulation Factor Xa

  摘要：

  The discovery and some of the basic structure-activity relationships of a series of novel nonpeptide inhibitors of blood coagulation Factor Xa is described. These inhibitors are functionalized p-alanines, exemplified by 2a. Docking experiments placing 2a in the active site of Factor Xa implied that the Most expeditious route to enhancing in vitro potency was to modify the group occupying the S3 site of the enzyme. Increasing the hydrophobic contacts between the inhibitor and the enzyme in this region led to 8, which has served as the prototype for this series. In addition, an enantioselective synthesis of these substituted p-alanines was also developed.

  DOI：

  10.1021/jm970482y
• 作为产物：
  描述：

  4-碘苯甲酸 在 氯化亚砜 、 硼酸三甲酯 作用下， 以 乙醚 为溶剂， 反应 4.5h， 生成 4'-乙基-4-联苯基羰基氯化物
  参考文献：
  名称：

  纳米级尺寸的自折叠空腔

  摘要：

  描述了新型间苯二酚基纳米容器分子 2 和 3。它们具有纳米级尺寸的可逆折叠单分子腔和~800 A3 内部体积；它们是迄今为止制备的最大的合成单分子宿主之一。由 12 个仲酰胺提供的两条分子内氢键接缝控制客体的吸收和释放。氢键阻止了主体的展开并增加了客体交换的能量屏障。在 NMR 时间尺度（室温）上交换很慢，并且产生了动力学稳定的复合物。报告了结合物的直接观察和复合物的化学计量。制备了一系列不同形状和长度的金刚烷基和环己基客体 11-19 并用于估计宿主的容量。化合物2呈S形构象，两个空腔独立作用；主体 2 的每一半与两个相同或不同的客体分子形成动力学稳定的复合物。这...

  DOI：

  10.1021/ja001562l

文献信息

• Synthesis of 2-substituted 4-quinazolone-5-carboxylic acids as inhibitors of DNA-gyrase
  作者：Zhihua Sui、Van N. Nguyen、Jeff Fernandez、John F. Barrett、Kwasi A. Ohemeng

  DOI：10.1002/jhet.5570340124

  日期：1997.1

  A series of 4-quinazolone-5-carboxylic acids were designed as bacterial DNA gyrase inhibitors. The syntheses of the target compounds were accomplished by reacting 3-aminophthalimide with aroyl chlorides followed by rearrangement of the resulting 3-acylaminophthalimides under basic conditions. The designed compounds showed moderate DNA gyrase inhibitory activity.

  设计了一系列4-喹唑酮-5-羧酸作为细菌DNA促旋酶抑制剂。通过使3-氨基邻苯二甲酰亚胺与芳酰氯反应，然后在碱性条件下重排所得的3-酰基氨基邻苯二甲酰亚胺来完成目标化合物的合成。设计的化合物显示出中等的DNA旋转酶抑制活性。
• Liquid Crystal of Ethyl and Propyl Aromatic Aldehyde with Azo Core and Photosensitivity in Mesophase
  作者：Yong-Sheng Wei、Min-Yan Zheng、Wei Geng、Shan Wang、Yong-Hui Shang

  DOI：10.14233/ajchem.2015.18367

  日期：——

  Eight new stable rod-like aromatic aldehyde liquid crystalline molecules with azo bridge have been prepared, in which single or double six-membered carbon ring carboxylic acid mesogenic cores with shorter alkyl chain of ethyl, n-propyl were condensed with hydroxyl azo benzaldehyde. These compounds have been characterized by their spectral data, DSC and HS-POM. These molecules were expected to exhibit liquid crystal phase so that the influence of UV-light on their textures of mesophase could be detected. The results showed that all these target compounds have the temperature range of mesophase between 101 and 145 °C. After irradiating under UV-light, they exihibited photo-sensitivity not only in methanol but also in mesophase.

  我们制备了八种新的稳定的偶氮桥杆状芳香醛液晶分子，其中单或双六元碳环羧酸中原核具有较短的乙基、正丙基烷基链，并与羟基偶氮苯甲醛缩合。通过光谱数据、DSC 和 HS-POM 对这些化合物进行了表征。预计这些分子会呈现液晶相，因此可以检测紫外光对它们介相质地的影响。结果表明，所有这些目标化合物的介相温度范围都在 101 至 145 ℃ 之间。在紫外线照射下，它们不仅在甲醇中，而且在介相中都表现出光敏感性。
• [EN] SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES<br/>[FR] N-[(AMINOIMINOMETHYLE OU AMINOMETHYLE)PHENYLE]PROPYLAMIDES A SUBSTITUTION
  申请人：RHONE-POULENC RORER PHARMACEUTICALS INC.

  公开号：WO1997024118A1

  公开（公告）日：1997-07-10

  (EN) The compounds according to the invention are substituted N-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides of formula (I) herein which exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More especially, they are Factor Xa inhibitors. The present invention is directed to compounds of formula (I), compositions containing compounds of formula (I), methods for their preparation and their use, which are for treating a patient suffering from, or subject to, conditions which can be ameliorated by the administration of an inhibitor of Factor Xa.(FR) Composés constitués par des N-[(aminoiminométhyle ou aminométhyle)phényle]propylamides à substitution de la formule (I) exerçant une activité utile sur le plan pharmacologique et de ce fait incorporés dans des compositions pharmaceutiques pour le traitement de patients souffrants de certains troubles pathologiques. Ces composés sont plus spécialement des inhibiteurs du facteur Xa. L'invention porte sur des composés de la formule (I), des compositions contenant des composés de la formule (I), des méthodes de préparation et d'utilisation de ces composés pour le traitement d'un patient souffrant d'états pouvant être améliorés par l'administration d'un inhibiteur du facteur Xa.

  本发明涉及一种具有有用药理活性的取代N-[(氨基亚甲基或氨基甲基)苯基]丙基酰胺化合物，其化学式为(I)，因此被纳入制药组合物中并用于治疗患有某些医学疾病的患者。更具体地说，它们是凝血因子Xa抑制剂。本发明涉及化合物(I)、含有化合物(I)的组合物、其制备方法及其用途，用于治疗患有或受到可通过凝血因子Xa抑制剂的给药而改善的疾病的患者。
• Synthesis of Multiring Azo-Benzoic Acid Liquid Crystalline Molecules and Their Special Photosensitive Property
  作者：Min-Yan Zheng、Yong-Sheng Wei、Wei Geng、Nai-Ni Guo、Ping Zhang

  DOI：10.1080/15421406.2014.949591

  日期：2015.2.11

  10 new rod-like azo benzoic acid liquid crystals belonged to three series have been prepared, in which trans-cyclohexyl benzene, biphenyl or bi-trans-cyclohexyl carboxylic acid mesogenic cores with ethyl, n-propyl, n-butyl or n-pentyl substituents were connected with azo benzoic acid. Meantime, a simple method was developed in synthesizing compounds bearing both ester and carboxyl groups in one-step reaction. All these compounds have been characterized on the basis of their spectral data, differential scanning calorimeter (DSC) and hot stage polarizing optical microscope (HS-POM). All these compounds have higher thermo-stability. 8 of these compounds have liquid crystalline properties. Their temperature ranges of mesophase have not been obtained, resulting from all the compounds decomposed before their clearing points. Although these compounds are photosensitive in solution under illumination of UV light (365nm), they can't do trans-cis isomerization in their mesophses, indicating the super stabilities of the trans isomer in mesophase.
• Multirings Aromatic Aldehyde Liquid Crystal with Azo Linkage and Their Photosensitivity in Mesophase
  作者：Min-Yan Zheng、Yong-Sheng Wei、Yuan-Zi Gu、Shan Wang

  DOI：10.1080/15421406.2013.877715

  日期：2014.4.13

  Ten new rod-like aromatic aldehyde liquid crystalline molecules with azo linkage were synthesized, in which bi(trans-cyclohexyl), cyclohexyl phenyl, and biphenyl carboxylic acid mesogenic cores with terminal ethyl, n-propyl, n-butyl, and n-pentyl substituents were esterified with azo benzoic aldehyde. These molecules were designed in an attempt to construct a series of new azo liquid crystalline molecules to investigate the influence of ultraviolet (UV) light on their mesophase. All compounds have been characterized on the basis of their spectral data, differential scanning calorimeter (DSC), and hot stage polarizing optical microscope (HS-POM). All these compounds exhibited liquid crystalline phase that belonged to nematic and photosensitive properties. Their temperature ranges of mesophase are from 101 degrees C to 150 degrees C. Under irradiated 365 nm UV light, they showed photosensitivity in the solvent of methanol. Observed under HS-POM, the UV light also did change the textures of these compounds. The result showed that terminal ethyl is enough for these molecules to exhibit wider temperature range of mesophase, and these new molecules have photosensitivities observed under illumination of UV light not only in solution but also in mesophase due to the change of their structures from trans isomer to cis one.