4-(p-tolylthio)butan-1-ol | 27975-48-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(p-tolylthio)butan-1-ol
• 英文别名: <4-Hydroxy-butyl>-p-tolyl-sulfid；4-(p-Methylthiophenyl)-n-butanol；4-Hydroxybutylmercapto-p-toluol；4-p-Tolylmercapto-butanol-1；4-(p-Tolylthio)-butanol；4-(4-methylphenyl)sulfanylbutan-1-ol
• CAS: 27975-48-0
• 化学式: C₁₁H₁₆OS
• 分子量: 196.313
• InChiKey: ORJVQVRHRAEVMW-UHFFFAOYSA-N

物化性质

• 沸点：
  139 °C(Press: 4 Torr)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(p-tolylthio)butan-1-ol 在 氯化亚砜 作用下， 以 乙醇 为溶剂， 生成 N-(4-p-Tolylthiobutyl)anilin
  参考文献：
  名称：

  Bird,R.; Stirling,J.M., Journal of the Chemical Society. Perkin transactions II, 1973, p. 1221 - 1226

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲苯硫酚 、 4-hydroxybutyl 4-methylbenzenesulfonate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以90%的产率得到4-(p-tolylthio)butan-1-ol
  参考文献：
  名称：

  Ｎｒｆ2 활성화능을 갖는 신규 화합물, 이를 포함하는 약학적 조성물

  摘要：

  本发明通过激活与凯奴还原酶基因表达有关的转录因子Nrf2，具有抑制神经细胞死亡、预防和治疗脑神经疾病的功效，作为具有Nrf2活化作用的新化合物，其特征在于用以下[化学式I]表示。 [化学式I]

  公开号：

  KR101525019B1

文献信息

• Synthesis of Multi-Substituted Cyclobutanes and Alkylidenecyclobutanes by the Reaction of Cyclobutylmagnesium Carbenoids with Nucleophiles
  作者：Tsuyoshi Satoh、Takashi Kasuya、Masashi Ishigaki、Mio Inumaru、Toshifumi Miyagawa、Nobuhito Nakaya、Shimpei Sugiyama

  DOI：10.1055/s-0030-1258391

  日期：2011.2

  with several nucleophiles to give multi-substituted cyclobutanes. The reaction of the cyclobutylmagnesium carbenoids with lithium α-sulfonyl carbanions afforded alkylidenecyclobutanes in moderate to good yields. cyclobutane - alkylidenecyclobutane - magnesium carbenoid - cyclobutylmagnesium carbenoid - cyclobutylmagnesium chloride

  用格氏试剂如乙基镁氯化物，异丙基氯化镁和环戊基氯化镁在THF中低温处理1-氯环丁基对甲苯基亚砜，可高收率得到环丁基镁类化合物。发现生成的镁类胡萝卜素在-78℃下稳定至少30分钟。环丁基镁类化合物与几种亲核试剂反应生成多取代的环丁烷。环丁基镁类胡萝卜素与α-磺酰基碳酸锂的反应以中等至良好的产率提供了亚烷基环丁烷。 环丁烷-亚烷基环丁烷-镁类胡萝卜素-环丁基镁类胡萝卜素-环丁基氯化镁
• Elimination–addition. Part XIII. Reactions of ω-bromoalkyl p-tolyl sulphones with bases: the role of inductive effects in elimination and substitution
  作者：A. C. Knipe、C. J. M. Stirling

  DOI：10.1039/j29670000808

  日期：——

  Rates of reaction of a series of sulphones, p-Me·C6H4·SO2·[CH2]n·Br (n= 3–6) with sodium ethoxide in ethanol and with potassium t-butoxide in t-butyl alchol have been measured. Three types of reaction occur, namely substitution (ethoxide reactions only), elimination, and cyclisation. Quantitative analysis of the products allows dissection of the overall rate constants into the respective rate constants

  一系列砜p- Me·C 6 H 4 ·SO 2 ·[CH 2 ] n ·Br（n = 3-6）与乙醇中的乙醇钠和叔丁基中的叔丁醇钾的反应速率酒精已被测量。发生三种类型的反应，即取代（仅乙醇反应），消除和环化。产物的定量分析允许将每个系统中每种反应类型的总速率常数分解为各自的速率常数。
• Remote participation during photooxidation at sulfur. Evidence for sulfurane intermediates
  作者：E. L. Clennan、Kang Yang

  DOI：10.1021/jo00042a031

  日期：1992.7

  The photooxidations of geminally substituted gamma-hydroxy sulfides results in formation of unusual oxidative elimination products. Detailed spectral data and the independent synthesis of a close analogue provide compelling evidence for the structures of these olefins. The formation of the olefins is attributed to decomposition of sulfurane intermediates. This conclusion is supported by a detailed kinetic study which separated the chemical, k(r), and physical, k(q), components to the overall deactivation of singlet oxygen. Those sulfides with the best geometry for sulfide-hydroxyl interaction are also the substrates which react most rapidly with singlet oxygen to give oxidation products. In addition, sulfone yields are in excess of 50% for the hydroxy-substituted sulfides but less than 5% for their hydrocarbon analogues. Several mechanisms that provide explanations for these unusually high sulfone yields are presented.
• Ｎｒｆ2 활성화능을 갖는 신규 화합물, 이를 포함하는 약학적 조성물
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR101525019B1

  公开（公告）日：2015-06-10

  본 발명은 퀴논 환원효소 유전자의 발현에 관여하는 전사인자인 Nrf2를 활성화시킴으로써 신경세포 사멸 억제 및 뇌신경 질환 예방과 치료에 효능을 갖는 Nrf2 활성화능을 갖는 신규 화합물로서, 하기 [화학식 Ⅰ]로 표시되는 것을 특징으로 한다. [화학식 Ⅰ]

  本发明通过激活与凯奴还原酶基因表达有关的转录因子Nrf2，具有抑制神经细胞死亡、预防和治疗脑神经疾病的功效，作为具有Nrf2活化作用的新化合物，其特征在于用以下[化学式I]表示。 [化学式I]
• Bird,R.; Stirling,J.M., Journal of the Chemical Society. Perkin transactions II, 1973, p. 1221 - 1226
  作者：Bird,R.、Stirling,J.M.

  DOI：——

  日期：——