1-碘-4-[(苯基甲基)硫代]苯 | 106380-88-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 1-碘-4-[(苯基甲基)硫代]苯
• 英文名称: S-benzyl-4-iodothiophenol
• 英文别名: 1-iodo-4-[(phenylmethyl)thio]benzene；benzyl(4-iodophenyl)sulfane；benzyl-(4-iodo-phenyl)-sulfide；Benzyl-(4-jod-phenyl)-sulfid；1-benzylsulfanyl-4-iodobenzene
• CAS: 106380-88-5
• 化学式: C₁₃H₁₁IS
• 分子量: 326.201
• InChiKey: HRUKABZNJAGVBV-UHFFFAOYSA-N

物化性质

• 熔点：
  77 °C
• 沸点：
  378.3±35.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-碘-4-[(苯基甲基)硫代]苯 在 双氧水 、 溶剂黄146 作用下， 生成 benzyl-(4-iodo-phenyl)-sulfoxide
  参考文献：
  名称：

  An Innovative Approach to Clinical Communication in Schizophrenia: The Approaches to Schizophrenia Communication Checklists

  摘要：

  摘要抗精神病药物的副作用会对患者的生活产生深远的影响，并可能对他们遵从治疗的意愿产生不利影响。通过改善精神科医生、医疗团队其他成员和患者之间的沟通来识别副作用，可能会提高治疗依从性。精神分裂症沟通方法（ASC）指导小组开发了两份简单实用的核对表，可在繁忙的临床环境中使用。ASC-自我报告（ASC-SR）核对表由患者填写，包含一份抗精神病治疗中较为常见或临床上较为重要的副作用清单。ASC-临床（ASC-C）核对表由临床医生和患者共同完成，作为半结构化访谈的基础。在一项为评估核对表效用而设立的多中心试点研究中，86%的受访患者认为 ASC-SR 有助于向精神科医生和医疗团队的其他成员传达他们的问题。所有医疗团队的受访者都认为这两份核对表有助于他们与患者讨论副作用问题。此外，分别有 41% 和 47% 的医疗团队受访者表示，ASC-SR 和 ASC-C 有助于他们发现之前没有意识到的副作用问题。这项多中心试点研究对ASC-SR和ASC-C的初步评估表明，这两种工具对用户都很友好，能鼓励患者和医护人员就抗精神病药物的副作用进行交流，并能很容易地融入日常临床实践中。

  DOI：

  10.1017/s1092852900022045
• 作为产物：
  描述：

  4-碘苯磺酰氯 在 2,4-滴二甲胺盐 、 potassium carbonate 、 二氯二甲基硅烷 、 锌 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 1-碘-4-[(苯基甲基)硫代]苯
  参考文献：
  名称：

  A One-Pot Procedure to Prepare S-Protected 4-Iodothiophenols

  摘要：

  By means of non-aqueous reduction of pipsyl chloride followed by treatment with K2CO3 and then reacting with acetyl chloride or benzyl chloride, S-acetyl/benzyl -4-iodothiophenols were obtained in a one-pot procedure with yield as high as 90%. These S-protected arenethiols are very important intermediates to synthesize self-assembled molecular wires.

  DOI：

  10.1080/00397910008087051

文献信息

• Thiophenol protecting groups for the palladium-catalyzed heck reaction: Efficient syntheses of conjugated arylthoils
  作者：Richard P Hsung、Jason R Babcock、Christopher E.D Chidsey、Lawrence R Sita

  DOI：10.1016/0040-4039(95)00861-6

  日期：1995.6

  A variety of S-thiophenol protecting groups have been evaluated for the Heck reaction. Of these, the S-acetyl group appears to be the best suited for facile removal under mild conditions to provide the corresponding free thiols in high yields.

  对于Heck反应，已经评估了多种S-硫代苯酚保护基。其中，S-乙酰基似乎最适合在温和条件下轻松除去，以高产率提供相应的游离硫醇。
• A Green Route to Benzyl Phenyl Sulfide from Thioanisole and Benzyl Alcohol over Dual Functional Ionic Liquids
  作者：Fengtian Wu、Yuepeng Wang、Yong Qian、Zong‐Bo Xie、Zhengang Ke、Yanfei Zhao、Zhimin Liu

  DOI：10.1002/asia.202201078

  日期：2023.1.17

  A simple, highly efficient and green approach to access benzyl phenyl sulfide derivatives via the reaction of thioanisoles with benzyl alcohols over [SO3HPrMIm][OTf] is reported.

  报道了一种简单、高效且绿色的方法，通过苯甲硫醚与苯甲醇在 [SO 3 HPrMIm][OTf]上的反应来获得苄基苯基硫化物衍生物。
• Postigo, Al; Rossi, Roberto A., Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 3, p. 485 - 490
  作者：Postigo, Al、Rossi, Roberto A.

  DOI：——

  日期：——
• An Innovative Approach to Clinical Communication in Schizophrenia: The Approaches to Schizophrenia Communication Checklists
  作者：Sharon G. Dott、Peter Weiden、Penelope Hopwood、A. George Awad、Jonathan S.E. Hellewell、John Knesevich、Lili Kopala、Alexander Miller、Carl Salzman

  DOI：10.1017/s1092852900022045

  日期：2001.11

  Side effects from antipsychotic medications can have a profound effect on patients' lives and may adversely affect their willingness to comply with treatment. Identification of side effects through improved communication between psychiatrists, other members of the healthcare team, and their patients might increase treatment compliance. The Approaches to Schizophrenia Communication (ASC) Steering Group developed two simple, practical checklists for use in the busy clinical setting. The ASC–Self-Report (ASC-SR) checklist is completed by the patient and comprises a list of the more common or clinically important side effects of antipsychotic treatment. The ASC-Clinic (ASC-C) checklist is completed by both clinician and patient together, being used as the basis for a semi-structured interview. In a multicenter pilot study set up to evaluate the utility of checklists, 86% of patients responding considered the ASC-SR to be useful in communicating their problems to psychiatrists and other members of the healthcare team. All healthcare team respondents found both checklists to be helpful when discussing side effect problems with their patients. Moreover, 41% and 47% of healthcare team respondents reported that the ASC-SR and ASC-C, respectively, had assisted them in identifying side-effect problems not previously acknowledged. Preliminary evaluation of the ASC-SR and ASC-C in this multicenter pilot study suggests that both tools were user-friendly, encouraged communication between patients and healthcare professionals about antipsychotic drug side effects, and could readily integrated into everyday clinical practice.

  摘要抗精神病药物的副作用会对患者的生活产生深远的影响，并可能对他们遵从治疗的意愿产生不利影响。通过改善精神科医生、医疗团队其他成员和患者之间的沟通来识别副作用，可能会提高治疗依从性。精神分裂症沟通方法（ASC）指导小组开发了两份简单实用的核对表，可在繁忙的临床环境中使用。ASC-自我报告（ASC-SR）核对表由患者填写，包含一份抗精神病治疗中较为常见或临床上较为重要的副作用清单。ASC-临床（ASC-C）核对表由临床医生和患者共同完成，作为半结构化访谈的基础。在一项为评估核对表效用而设立的多中心试点研究中，86%的受访患者认为 ASC-SR 有助于向精神科医生和医疗团队的其他成员传达他们的问题。所有医疗团队的受访者都认为这两份核对表有助于他们与患者讨论副作用问题。此外，分别有 41% 和 47% 的医疗团队受访者表示，ASC-SR 和 ASC-C 有助于他们发现之前没有意识到的副作用问题。这项多中心试点研究对ASC-SR和ASC-C的初步评估表明，这两种工具对用户都很友好，能鼓励患者和医护人员就抗精神病药物的副作用进行交流，并能很容易地融入日常临床实践中。
• A One-Pot Procedure to Prepare S-Protected 4-Iodothiophenols
  作者：Jishan Wu、Chunyan Chi、Xianhong Wang、Ji Li、Xiaojiang Zhao、Fosong Wang

  DOI：10.1080/00397910008087051

  日期：2000.12

  By means of non-aqueous reduction of pipsyl chloride followed by treatment with K2CO3 and then reacting with acetyl chloride or benzyl chloride, S-acetyl/benzyl -4-iodothiophenols were obtained in a one-pot procedure with yield as high as 90%. These S-protected arenethiols are very important intermediates to synthesize self-assembled molecular wires.