4-tert-butoxy-benzenethiol | 60852-09-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-tert-butoxy-benzenethiol
• 英文别名: 4-t-Butoxythiophenol；4-tert-Butoxybenzenethiol；4-[(2-methylpropan-2-yl)oxy]benzenethiol
• CAS: 60852-09-7
• 化学式: C₁₀H₁₄OS
• 分子量: 182.287
• InChiKey: ARRIPSQGMHQZCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  93-95 °C(Press: 5 Torr)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  10.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-tert-butoxy-benzenethiol 在 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 hexakis(4-hydroxyphenylthio)benzene
  参考文献：
  名称：

  Synthesis and Properties of Water-Soluble Asterisk Molecules

  摘要：

  An asterisk is comprised of six semirigid arms projecting from a benzene nucleus. In the case at hand, asterisks were synthesized with one, two, or three aromatic rings (connected by sulfur atoms) in each of the six arms. A phosphomonoester at the termini of each arm solubilized the asterisks in water. The colloidal properties of these amphiphilic molecules were investigated by UV-vis and fluorescence spectroscopy, calorimetry, light scattering, surface tensiometry, and pulse-gradient spin-echo NMR. Solubility, solubilization, metal binding, and micelle "seeding" experiments were also carried out. Chain-conformation and supramolecular assembly into remarkable molecular "scrolls" were investigated by X-ray analysis and electron microscopy, respectively. One of the more interesting properties of the asterisks is that they remain monomeric in water despite having as many as 19 hydrophobic aromatic rings exposed to the water. The reasons for this behavior, and the possibility of exploiting it for constructing enzyme models free from aggregation equilibria, are discussed.

  DOI：

  10.1021/ja0206238
• 作为产物：
  描述：

  4-(甲硫基)苯酚 在 三氟甲磺酸 、 氨 、 sodium 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 4-tert-butoxy-benzenethiol
  参考文献：
  名称：

  Synthesis and Properties of Water-Soluble Asterisk Molecules

  摘要：

  An asterisk is comprised of six semirigid arms projecting from a benzene nucleus. In the case at hand, asterisks were synthesized with one, two, or three aromatic rings (connected by sulfur atoms) in each of the six arms. A phosphomonoester at the termini of each arm solubilized the asterisks in water. The colloidal properties of these amphiphilic molecules were investigated by UV-vis and fluorescence spectroscopy, calorimetry, light scattering, surface tensiometry, and pulse-gradient spin-echo NMR. Solubility, solubilization, metal binding, and micelle "seeding" experiments were also carried out. Chain-conformation and supramolecular assembly into remarkable molecular "scrolls" were investigated by X-ray analysis and electron microscopy, respectively. One of the more interesting properties of the asterisks is that they remain monomeric in water despite having as many as 19 hydrophobic aromatic rings exposed to the water. The reasons for this behavior, and the possibility of exploiting it for constructing enzyme models free from aggregation equilibria, are discussed.

  DOI：

  10.1021/ja0206238

文献信息

• Michael addition of thiols to α-enones in ionic liquids with and without organocatalysts
  作者：Mária Mečiarová、Štefan Toma、Peter Kotrusz

  DOI：10.1039/b516289k

  日期：——

  Seventeen organocatalyts were tested for their ability to catalyst the addition of thiophenols to chalcones in [bmim]PF6. The products were isolated in high yield after a short reaction time, but no stereoselectivity was observed. The reactions also proceeded (without any stereoselectivity) in four other ionic liquids. In contrast, 16% and 26% ee were observed when L-proline and cinchonine, respectively, were used as the catalysts in CH2Cl2. Addition of thiophenols is also catalysed by HCl, as well as D-mandelic and L-tartaric acids. Addition of thiophenols to chalcones also occurred in neat ionic liquids, without any additional catalyst, but the rate of the reaction depended considerably on the structure of ionic liquid. The scope of the non-catalysed reaction in ionic liquids was tested by the reactions of 5 different thiols and 3 different α-enones.

  在[bmim]PF6中，测试了十七种有机催化剂对噻吩醇与查尔酮加成反应的催化能力。产物在短反应时间内以高收率分离，但未观察到立体选择性。该反应在其他四种离子液体中也进行（没有立体选择性）。相比之下，在CH2Cl2中分别使用L-脯氨酸和辛可宁作为催化剂时，观察到了16%和26%的ee值。噻吩醇的加成反应也受HCl、D-扁桃酸和L-酒石酸的催化。噻吩醇与查尔酮的加成反应在没有额外催化剂的情况下也在纯净的离子液体中发生，但反应速率很大程度上取决于离子液体的结构。通过5种不同的硫醇与3种不同的α-烯酮的反应，测试了离子液体中非催化反应的范围。
• [EN] 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS<br/>[FR] COMPOSES 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2005042542A1

  公开（公告）日：2005-05-12

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1)in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and -(CH2)nR2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30)and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy 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.

  本发明提供了一种由以下一般式表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物：(1)在上述式(1)中，R1代表氢原子或C1-C6烷基，n代表0至6的整数，R1和-(CH2)nR2可以与下面的式(30)一起形成一个螺环，与相邻的碳原子一起（在下面的式中，RRR代表可能在哌啶环上具有取代基的哌啶基），(30)和R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似物。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耐酸细菌具有出色的杀菌作用。
• ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK PROVIDED WITH ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, ELECTRONIC DEVICE, COMPOUND, AND METHOD FOR PRODUCING COMPOUND
  申请人：FUJIFILM Corporation

  公开号：US20160280621A1

  公开（公告）日：2016-09-29

  The composition contains an alkali-soluble resin and a crosslinking agent that is represented by the following General Formula (I). In the formula, each of R 1 and R 6 independently represents a hydrogen atom or a hydrocarbon group having 5 or less carbon atoms; each of R 2 and R 5 independently represents an alkyl group, a cycloalkyl group, an aryl group, or an acyl group; and each of R 3 and R 4 independently represents a hydrogen atom or an organic group having 2 or more carbon atoms, and R 3 and R 4 may be bonded to each other to form a ring.

  该组合物包含一种碱溶性树脂和一种由下列通式（I）表示的交联剂。在该式中，R1和R6各自独立地表示氢原子或具有5个或更少碳原子的碳氢基团；R2和R5各自独立地表示烷基、环烷基、芳基或酰基；R3和R4各自独立地表示氢原子或具有2个或更多碳原子的有机基团，且R3和R4可以结合形成环。
• CHEMICALLY AMPLIFIED PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND COMPOUND
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20200209739A1

  公开（公告）日：2020-07-02

  A chemically amplified photosensitive composition which forms a resist pattern whose cross-sectional shape is rectangular, and which has a wide depth of focus margin; a photosensitive dry film having a photosensitive layer made from the composition; a method of manufacturing a patterned-resist film using the composition; a method of manufacturing a substrate with a template using the composition; a method of manufacturing a plated article using the substrate with a template; and a novel compound. An acid diffusion suppressing agent having a specific structure is blended into the composition including an acid generator which generates acid upon exposure to an irradiated active ray or radiation.

  一种化学增感光敏组合物，形成一个截面形状为矩形的抗蚀图案，具有宽广的焦深度余量；一种具有由该组合物制成的感光层的感光干膜；使用该组合物制造图案抗蚀膜的方法；使用该组合物制造带有模板的基板的方法；使用带有模板的基板制造电镀物品的方法；以及一种新型化合物。酸扩散抑制剂与包括在暴露于辐射活性光线或辐射时生成酸的酸发生剂的组合物中混合，具有特定的结构。
• 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis
  申请人：Tsubouchi Hidetsugu

  公开号：US20080119478A1

  公开（公告）日：2008-05-22

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1) in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and —(CH2) n R2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30) and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy 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.

  本发明提供了一种由下述通式（1）表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物： 在上述式（1）中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R1和—(CH2)nR2可以与相邻的碳原子形成如下式（30）所示的螺环，其中，在下式中，RRR代表可能在哌啶环上具有取代基的哌啶基： （30）且R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似基团。该化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型酸杆菌具有优异的杀菌作用。