methyl 4-methyl-1-naphthyl sulphide | 95332-88-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 4-methyl-1-naphthyl sulphide
• 英文别名: Naphthalene, 1-methyl-4-(methylthio)-；1-methyl-4-methylsulfanylnaphthalene
• CAS: 95332-88-0
• 化学式: C₁₂H₁₂S
• 分子量: 188.293
• InChiKey: PKYYEBIXSORDNK-UHFFFAOYSA-N

物化性质

• 沸点：
  315.0±11.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  methyl 4-methyl-1-naphthyl sulphide 在 dipotassium peroxodisulfate 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 methyl 4-methyl-1-naphthyl sulphoxide
  参考文献：
  名称：

  Srinivasan, Chockalingam; Perumal, Subbu; Arumugam, Natesan, Journal of the Chemical Society. Perkin transactions II, 1984, p. 2065 - 2068

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲基亚砜 、 alkaline earth salt of/the/ methylsulfuric acid 在 zinc(II) fluoride 、 copper(I) bromide 作用下， 反应 36.0h， 生成 methyl 4-methyl-1-naphthyl sulphide
  参考文献：
  名称：

  通过C–S键裂解， 镍催化的芳基硫醚与烷基格氏试剂的交叉偶联†

  摘要：

  提出了镍催化的芳基硫醚与烷基格氏试剂的交叉偶联，同时伴随着C（芳基）–SMe键的裂解。该方法的特点是温和的条件和适度的官能团耐受性（例如羟基，卤素和杂环），这应可直接实现对含硫分子的修饰。

  DOI：

  10.1039/c8cc03665a

文献信息

• Thioether-directed Rh(<scp>iii</scp>)-catalyzed <i>peri</i>-selective acyloxylation of arenes
  作者：Hui Xie、Jia-Lin Song、Chun-Yong Jiang、Yan-Xia Huang、Jun-Yi Zeng、Xu-Ge Liu、Shang-Shi Zhang、Fan Yang

  DOI：10.1039/d1ob02236a

  日期：——

  A thioether directed acyloxylation of arenes has been realized via Cp*Rh(III)-catalyzed C–H activation and subsequent coupling with carboxylic acids. This new method showed high functional group compatibility and broad substrate scope. Primary mechanistic studies have been conducted and a tentative reaction mechanism was proposed. It represents the first example of a thioether-directed Cp*Rh(III)-catalyzed

  通过Cp*Rh( III ) 催化的 C-H 活化和随后与羧酸的偶联，实现了芳烃的硫醚定向酰氧基化。这种新方法显示出高官能团相容性和广泛的底物范围。已经进行了初步的机理研究，并提出了初步的反应机理。它代表了硫醚指导的 Cp*Rh( III ) 催化的 C(sp 2 )-H 酰氧基化反应的第一个例子。
• 17BetaHSD Type 5 Inhibitor
  申请人：Niimi Tatsuya

  公开号：US20110071146A1

  公开（公告）日：2011-03-24

  To provide a novel and excellent method for treating and/or preventing prostatic cancer, benign prostatic hyperplasia, acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, polycystic ovary syndrome, breast cancer, lung cancer, endometriosis, leiomyoma and the like based on selective inhibitory activity against 17βHSD type 5. It was found that an N-sulfonylindole derivative, where the indole ring is substituted by a carboxy group, a carboxy-substituted lower alkyl group or a carboxy-substituted lower alkenyl group at its carbon atom, has potent selective inhibitory activity against 17βHSD type 5 and may become a therapeutic agent and/or preventive agent for benign prostatic hyperplasia, prostatic cancer and the like without accompanying adverse drug reactions due to a decrease in testosterone, and the present invention has thus been completed.

  提供一种新颖和优秀的方法，用于基于对17βHSD类型5的选择性抑制活性，治疗和/或预防前列腺癌、良性前列腺增生、痤疮、脂溢性皮炎、多毛症、秃发、脱发、早熟、肾上腺增生、多囊卵巢综合症、乳腺癌、肺癌、子宫内膜异位症、平滑肌瘤等疾病。发现一种N-磺酰基吲哚衍生物，其中吲哚环在其碳原子上被羧基取代，或者被羧基取代的低烷基或低烯基取代，具有强大的选择性抑制17βHSD类型5的活性，可能成为治疗和/或预防良性前列腺增生、前列腺癌等疾病的治疗剂和/或预防剂，而不伴随着由于睾酮降低而产生的不良药物反应，因此本发明得以完成。
• 17BetaHSD TYPE 5 INHIBITOR
  申请人：Niimi Tatsuya

  公开号：US20090181960A1

  公开（公告）日：2009-07-16

  To provide a novel and excellent method for treating and/or preventing prostatic cancer, benign prostatic hyperplasia, acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, polycystic ovary syndrome, breast cancer, lung cancer, endometriosis, leiomyoma and the like based on selective inhibitory activity against 17βHSD type 5. It was found that an N-sulfonylindole derivative, where the indole ring is substituted by a carboxy group, a carboxy-substituted lower alkyl group or a carboxy-substituted lower alkenyl group at its carbon atom, has potent selective inhibitory activity against 17βHSD type 5 and may become a therapeutic agent and/or preventive agent for benign prostatic hyperplasia, prostatic cancer and the like without accompanying adverse drug reactions due to a decrease in testosterone, and the present invention has thus been completed.

  提供一种新颖优良的方法，用于基于对17βHSD type 5的选择性抑制活性，治疗和/或预防前列腺癌、良性前列腺增生、痤疮、皮脂溢出、多毛症、脱发、早熟、肾上腺增生、多囊卵巢综合症、乳腺癌、肺癌、子宫内膜异位症、平滑肌瘤等疾病。发现一种N-磺酰基吲哚衍生物，其中吲哚环在其碳原子上被羧基、羧基取代的低碳基或羧基取代的低烯基取代，具有强大的选择性抑制17βHSD type 5的活性，可以成为治疗剂和/或预防剂，用于治疗良性前列腺增生、前列腺癌等疾病，不会伴随着由于睾酮减少而引起的不良药物反应，因此本发明已经完成。
• Molecular Engineering of Chalcogen‐Embedded Anthanthrenes via <i>peri</i> ‐Selective C−H Activation: Fine‐Tuning of Crystal Packing for Organic Field‐Effect Transistors
  作者：Zheng Liu、Weiguo Han、Jingbo Lan、Lingyan Sun、Junbin Tang、Cheng Zhang、Jingsong You

  DOI：10.1002/anie.202211412

  日期：2023.1.16

  RhCl3-catalyzed peri-selective C−H/C−H oxidative homo-coupling of 1-substituted naphthalenes is developed to access chalcogen-embedded anthanthrenes. S-embedded anthanthrene (PTT) exhibits hole transport with a mobility of 1.1 cm2 V−1 s−1. The transformation of p-type to n-type semiconductors is realized via the S-atom oxidation of PTT, and the resulting PTT-O4 shows electron transport with a mobility

  开发了RhCl 3催化的 1-取代萘的近选择性 C−H/C−H 氧化均偶联反应，以获取硫属元素包埋的蒽蒽。S-嵌入蒽蒽 ( PTT ) 表现出迁移率为 1.1 cm 2  V -1  s -1的空穴传输。p 型到 n 型半导体的转变是通过 PTT 的 S 原子氧化实现的，生成的PTT-O4显示出迁移率为 0.022 cm 2  V -1  s -1的电子传输。
• 17 BETA HSD TYPE 5 INHIBITOR
  申请人：Astellas Pharma Inc.

  公开号：EP1990335A1

  公开（公告）日：2008-11-12

  To provide a novel and excellent method for treating and/or preventing prostatic cancer, benign prostatic hyperplasia, acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, polycystic ovary syndrome, breast cancer, lung cancer, endometriosis, leiomyoma and the like based on selective inhibitory activity against 17βHSD type 5. It was found that an N-sulfonylindole derivative, where the indole ring is substituted by a carboxy group, a carboxy-substituted lower alkyl group or a carboxy-substituted lower alkenyl group at its carbon atom, has potent selective inhibitory activity against 17βHSD type 5 and may become a therapeutic agent and/or preventive agent for benign prostatic hyperplasia, prostatic cancer and the like without accompanying adverse drug reactions due to a decrease in testosterone; and the present invention has thus been completed.

  提供一种基于对 17βHSD 5 型的选择性抑制活性的治疗和/或预防前列腺癌、良性前列腺增生、痤疮、脂溢性皮炎、多毛症、秃头、脱发、性早熟、肾上腺肥大、多囊卵巢综合征、乳腺癌、肺癌、子宫内膜异位症、子宫肌瘤等疾病的新型优良方法。 研究发现，一种 N-磺酰基吲哚衍生物，其吲哚环的碳原子上被羧基、羧基取代的低级烷基或羧基取代的低级烯基取代，对 17βHSD 5 型具有强效的选择性抑制活性，可成为良性前列腺增生、前列腺癌等的治疗剂和/或预防剂，且不会因睾酮减少而伴随药物不良反应；本发明由此完成。