4-甲基-2-[(甲硫基)甲基]苯酚 | 4526-38-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-甲基-2-[(甲硫基)甲基]苯酚
• 中文别名: 4-甲基-2-[(甲基硫代)甲基]苯酚
• 英文名称: 4-methyl-2-methylthiomethylphenol
• 英文别名: 2-Methylmercaptomethyl-4-methyl-phenol；4-Methyl-2-methylmercaptomethyl-phenol；2-Thiomethoxymethyl-4-methylphenol；4-Methyl-2-thiomethoxymethylphenol；4-Methyl-2-[(methylthio)methyl]phenol；4-methyl-2-(methylsulfanylmethyl)phenol
• CAS: 4526-38-9
• 化学式: C₉H₁₂OS
• mdl: MFCD06200825
• 分子量: 168.26
• InChiKey: AHHVLSOMJJHBNS-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为产物：
  描述：

  对甲酚 、 N-(2,4-dinitro-phenyl)-S,S-dimethyl-sulfimide 生成 4-甲基-2-[(甲硫基)甲基]苯酚
  参考文献：
  名称：

  s，s-二甲基-正-（2,4-二硝基苯基）亚硫亚胺的制备及反应

  摘要：

  通过在DMF中使用DMSO，2,4-二硝基苯胺和五氧化二磷以高收率制备了S，S-二甲基-N-（2,4-二硝基苯基）亚砜胺（4a），并讨论了DMF在该系统中的作用。该方法已成功应用于几种亚硫亚胺的合成。4a与质子化合物的反应显示出有趣的内酯交换反应。

  DOI：

  10.1016/0040-4020(78)87005-7

文献信息

• Convenient Preparation of <i>N</i>-Acylbenzoxazines from Phenols, Nitriles, and DMSO Initiated by a Catalytic Amount of (COCl)₂
  作者：Hao Wang、Zeyu Xi、Shuai Huang、Rui Ding、Yang Gao、Yongguo Liu、Baoguo Sun、Hongyu Tian、Sen Liang

  DOI：10.1021/acs.joc.0c02768

  日期：2021.4.2

  A convenient preparation method of N-acylbenzoxazines has been developed, in which phenols react with nitriles and dimethyl sulfoxide (DMSO) in the presence of a catalytic amount of (COCl)2 in CH3CN or chloroform to afford the corresponding N-acylbenzoxazines in moderate-to-good yields. DMSO acts as a source of HCHO, which is generated in situ from the decomposition of a methoxydimethylsulfonium salt

  已经开发了一种方便的N-酰基苯并恶嗪的制备方法，其中在催化量的（COCl）2在CH 3 CN或氯仿中，苯酚与腈和二甲基亚砜（DMSO）反应，得到相应的N-酰基苯并恶嗪。中等至良好的收益率。DMSO充当HCHO的来源，它是由甲氧基二甲基s盐的分解原位生成的。提出了甲氧基二甲基s盐的再生循环，其由催化量的（COCl）2引发。
• Reaction of Dimethyl Sulfoxide–Trifluoroacetic Anhydride with Anilines, Phenols, and Thiophenols
  作者：Yuji Hiraki、Masahiro Kamiya、Rikuhei Tanikaga、Noboru Ono、Aritsune Kaji

  DOI：10.1246/bcsj.50.447

  日期：1977.2

  The reaction of dimethyl sulfoxide–trifluoroacetic anhydride complex with anilines, phenols, and thiophenols was studied, and the following results were obtained. (1) The yields of a methylthiomethylated product were improved with anilines. The reaction proceeded without significant amount of tar, the unreacted anilines being easily recovered. (2) Selective ortho-methylthiomethylation took place with

  研究了二甲基亚砜-三氟乙酸酐与苯胺、苯酚和苯硫酚的反应，得到以下结果。(1) 苯胺提高了甲硫基甲基化产物的产率。反应在没有大量焦油的情况下进行，未反应的苯胺很容易回收。(2) 酚类在较低温度下发生选择性邻甲硫基甲基化，产率较高，对甲硫基甲基化发生在较高温度。(3) 在室温下，苯硫酚的硫原子上的苯硫酚在一个简单的过程中发生了甲基硫代甲基化反应。
• PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT
  申请人：MARUYAMA Toru

  公开号：US20100010222A1

  公开（公告）日：2010-01-14

  A pharmaceutical composition for topical administration for prevention and/or treatment of diseases associated with decrease in bone mass comprising an EP 4 agonist as an active ingredient. An EP 4 agonist, in which includes a compound possessing prostaglandin skeleton as a representative, possesses promoting action on bone formation, so it is useful for prevention and/or treatment of diseases associated with decrease in bone mass (bone diseases such as primary osteoporosis, secondary osteoporosis, bone metastasis of cancer, hypercalcemia, Paget's disease, bone loss and bone necrosis, postoperative osteogenesis, alternative therapy for bone grafting).

  一种用于局部治疗预防和/或治疗与骨量减少相关疾病的药物组合物，包括EP4激动剂作为活性成分。EP4激动剂，其中包括具有前列腺素骨架的化合物作为代表，具有促进骨形成的作用，因此对于预防和/或治疗与骨量减少相关的疾病（如原发性骨质疏松症、继发性骨质疏松症、骨癌转移、高钙血症、帕吉特病、骨丢失和骨坏死、术后骨生成、骨移植替代疗法）非常有用。
• Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：EP2255829A2

  公开（公告）日：2010-12-01

  A pharmaceutical composition for topical administration for prevention and/or treatment of diseases associated with decrease in bone mass comprising an EP4 agonist as an active ingredient. An EP4 agonist, in which includes a compound possessing prostaglandin skeleton as a representative, possesses promoting action on bone formation, so it is useful for prevention and/or treatment of diseases associated with decrease in bone mass (bone diseases such as primary osteoporosis, secondary osteoporosis, bone metastasis of cancer, hypercalcemia, Paget's disease, bone loss and bone necrosis, postoperative osteogenesis, alternative therapy for bone grafting).

  一种局部用药的药物组合物，用于预防和/或治疗与骨量减少有关的疾病，其活性成分包括一种 EP4 激动剂。EP4激动剂（其中包括以前列腺素骨架为代表的化合物）具有促进骨形成的作用，因此可用于预防和/或治疗与骨量减少有关的疾病（骨病，如原发性骨质疏松症、继发性骨质疏松症、癌症骨转移、高钙血症、Paget病、骨丢失和骨坏死、术后成骨、植骨替代疗法）。
• Sato, Kikumasa; Inoue, Seiichi; Ozawa, Kimio, Journal of the Chemical Society. Perkin transactions I, 1984, p. 2715 - 2719
  作者：Sato, Kikumasa、Inoue, Seiichi、Ozawa, Kimio、Tazaki, Michiko

  DOI：——

  日期：——