4-(4-叔丁基苯氧基)-丁酸 | 87411-30-1

• 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-(4-叔丁基苯氧基)-丁酸
• 英文名称: 4-(4-(tert-butyl)phenoxy)butanoic acid
• 英文别名: 4-(4-Tert-butylphenoxy)butanoic acid
• CAS: 87411-30-1
• 化学式: C₁₄H₂₀O₃
• mdl: MFCD02730396
• 分子量: 236.311
• InChiKey: SBRAJDSNLRABGN-UHFFFAOYSA-N

物化性质

• 沸点：
  210 °C(Press: 20 Torr)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  6
• 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

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-(4-叔丁基苯氧基)-丁酸 在 PPA 作用下， 反应 1.0h， 以78%的产率得到7-tert-Butyl-3,4-dihydro-2H-benzo[b]oxepin-5-one
  参考文献：
  名称：

  Freedman, Jules; Stewart, Kenneth T., Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 1547 - 1554

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 4-(4-(tert-butyl)phenoxy)butyrate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以87%的产率得到4-(4-叔丁基苯氧基)-丁酸
  参考文献：
  名称：

  Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01198

文献信息

• Antibacterial Barbituric Acid Analogues Inspired from Natural 3-Acyltetramic Acids; Synthesis, Tautomerism and Structure and Physicochemical Property-Antibacterial Activity Relationships
  作者：Yong-Chul Jeong、Mark Moloney

  DOI：10.3390/molecules20033582

  日期：——

  The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and some resistant Gram-positive strains of particular interest is that these systems possess amenable molecular weight, rotatable bonds and number of proton-donors/acceptors for drug design as well as less

  报道了新型巴比妥酸盐的合成、互变异构和抗菌活性。特别是，3-酰基和 3-羧酰胺巴比妥酸盐对敏感和一些耐药革兰氏阳性菌株表现出抗菌活性，特别令人感兴趣的是，这些系统具有适用的分子量、可旋转键和用于药物设计的质子供体/受体数量由于亲脂性较差，理化性质和离子状态类似于目前用于口服和注射的抗生素。不幸的是，巴比妥核心对血浆蛋白亲和力的降低不足以实现体内活性。因此需要进一步优化以降低血浆蛋白亲和力和/或提高抗生素效力，
• Trityl Derivatives for Enhancing Mass Spectrometry
  申请人：Southern Edwin Mellor

  公开号：US20090023926A1

  公开（公告）日：2009-01-22

  The present invention provides a compound of the formula: (IIa); having a reactive functional group M, capable of reacting with a biopolymer, BP, having at least one group capable of reacting with M to form a covalent linkage, to provide a biopolymer derivative of the formula: (IIIa). The biopolymer derivatives of the invention have enhanced ionisability with respect to free 10 biopolymer (Bp) enabling improved analysis of the biopolymer using mass spectrometry. The invention further provides specific examples of compounds formula (IIa), e.g. compounds of formula: (IIa-2 a ) and (IIa-58 a ).

  本发明提供了一种化合物，其化学式为：（IIa），具有反应性功能基团M，能够与生物聚合物BP反应，BP具有至少一个能够与M反应形成共价键的基团，从而提供化合物的生物聚合物衍生物，其化学式为：（IIIa）。本发明的生物聚合物衍生物相对于自由生物聚合物（Bp）具有增强的离子化能力，从而能够通过质谱分析获得更好的分析结果。本发明还提供了化合物化学式（IIa）的具体例子，例如化合物化学式：（IIa-2a）和（IIa-58a）。
• NOVEL AZOLE COMPOUND
  申请人：YAMAMOTO Takashi

  公开号：US20090170911A1

  公开（公告）日：2009-07-02

  Azole compounds represented by formula I: wherein ring A is isoxazole and the like, R1 is a substituted or unsubstituted aryl group and the like, R2 is a hydrogen atom and the like, and R3 is a substituted or unsubstituted alkyl group and the like, and pharmaceutically acceptable salts thereof inhibit the physiological activity of lysophosphatidic acid (LPA), and are useful as for the prophylaxis or treatment of diseases in which inhibition of the physiological activity of LPA is useful for the prophylaxis or treatment thereof, such as diseases involving the LPA receptor.

  公式I所代表的氮杂环化合物：其中环A为异噁唑类环等，R1为取代或未取代芳基基团等，R2为氢原子等，R3为取代或未取代烷基基团等，以及其药学上可接受的盐，能够抑制溶血磷脂酸（LPA）的生理活性，适用于预防或治疗需要抑制LPA生理活性的疾病，如涉及LPA受体的疾病。
• FREEDMAN, JULES;STEWART, KENNETH T., J. HETEROCYCL. CHEM., 26,(1989) N, C. 1547-1554
  作者：FREEDMAN, JULES、STEWART, KENNETH T.

  DOI：——

  日期：——
• Trityl derivatives for enhancing mass spectrometry
  申请人：SHCHEPINOV Mikhail Sergeevich

  公开号：US20080248584A1

  公开（公告）日：2008-10-09

  Compounds of formula (IIa): are provided where: X is a group capable of being cleaved from the α-carbon atom to form an ion of formula (I′) C is a carbon atom bearing a single positive charge or a single negative charge; The invention further provides compounds of formula (IIb): where: X is a counter-ion to C . The compounds of formula (IIa) and (IIb) may form ions of formula (I′) by either cleaving the C—X bond between X and the α-carbon atoms in the case of the compounds of formula (IIa) or dissociating X in the case of compounds of formula (IIb).