5-methyl-3-phenylbenzothiophene | 108012-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 5-methyl-3-phenylbenzothiophene
• 英文别名: 5-methyl-3-phenylbenzo[b]thiophene；5-Methyl-3-phenylbenzothiophen；5-Methyl-3-phenyl-benzo[b]thiophen；5-methyl-3-phenyl-1-benzothiophene
• CAS: 108012-20-0
• 化学式: C₁₅H₁₂S
• 分子量: 224.326
• InChiKey: DVVITUWRWCIKDD-UHFFFAOYSA-N

物化性质

• 沸点：
  134-137 °C(Press: 0.5 Torr)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-methyl-3-phenylbenzothiophene 在 双氧水 、 溶剂黄146 作用下， 生成 5-methyl-3-phenyl-benzo[b]thiophene-1,1-dioxide
  参考文献：
  名称：

  Rao; Tilak, Journal Of Scientific and Industrial Research, 1959, vol. 18B, p. 77,82

  摘要：

  DOI：
• 作为产物：
  描述：

  5-methyl-2-methylsulfanyl-benzophenone 在 calcium hydroxide 作用下， 生成 5-methyl-3-phenylbenzothiophene
  参考文献：
  名称：

  Krollpfeiffer et al., Justus Liebigs Annalen der Chemie, 1950, vol. 566, p. 139,145

  摘要：

  DOI：

文献信息

• An aryl thiol–vinyl azide coupling reaction and a thiol–vinyl azide coupling/cyclization cascade: efficient synthesis of β-ketosulfides and arene-fused 5-methylene-2-pyrrolidinone derivatives
  作者：Yong Wang、Yu-Jiao Wang、Xian-Chen Liang、Mei-Hua Shen、Hua-Dong Xu、Defeng Xu

  DOI：10.1039/d1ob00328c

  日期：——

  The addition reaction of thiol to vinyl azide has been extensively studied. Variously substituted aryl thiols are all viable for this coupling process. The scope of the other partner is successfully expanded from α-aryl vinyl azide to α-alkyl vinyl azide. A thiol–vinyl azide coupling/cyclization cascade is realized with substituted aryl vinyl azides carrying a 2-methoxycarbonyl group. The value of

  硫醇与叠氮化乙烯的加成反应已被广泛研究。各种取代的芳基硫醇对于这种偶联过程都是可行的。另一个合作伙伴的范围从α-芳基乙烯基叠氮化物成功扩展到了α-烷基乙烯基叠氮化物。硫醇-乙烯基叠氮化物偶联/环化级联是通过带有 2-甲氧基羰基的取代芳基乙烯基叠氮化物实现的。β-酮硫醚产品的价值通过其在S-杂环合成中的应用得到证明。
• 3-Phenyl benzo b thiophenes as pesticidal compounds
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0526951A1

  公开（公告）日：1993-02-10

  Compounds of the general formula in which X and Y each represents halogen, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylenedioxy, alkylthio, halo-substituted alkylthio, alkylsulphinyl, halo-substituted alkylsulphinyl, alkylsulphonyl, halo-substituted alkylsulphonyl, cyano, nitro, amino, alkylamino, dialkylamino, acetamido, N-alkylacetamido, optionally substituted benzyl, optionally substituted benzoyl, optionally substituted phenylthio, optionally substituted phenylsulphinyl, optionally substituted phenylsulphonyl or optionally substituted phenoxy radical, p is 0 to 5, n is 0 to 4, m is 0, 1 or 2, Z represents hydrogen, hydroxy or OR where R represents acyl, q is 0 or 1, and | represents a single bond (when q is 1) or a double bond (when q is 0), have useful pesticidal properties.

  通式为的化合物在其中X和Y分别代表卤素、烷基、卤代烷基、烷氧基、卤代烷氧基、烷二氧基、烷硫基、卤代烷硫基、烷基磺基、卤代烷基磺基、烷基砜基、卤代烷基砜基、氰基、硝基、氨基、烷基氨基、二烷基氨基、乙酰胺基、N-烷基乙酰胺基、可选择取代的苄基、可选择取代的苯甲酰基、可选择取代的苯硫基、可选择取代的苯砜基、可选择取代的苯砜基或可选择取代的苯氧基基团，p为0至5，n为0至4，m为0、1或2，Z代表氢、羟基或OR，其中R代表酰基，q为0或1，而|代表单键（当q为1时）或双键（当q为0时），具有有用的杀虫性能。
• [EN] MICROBIOCIDAL COMPOUNDS<br/>[FR] COMPOSÉS MICROBIOCIDES
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2021219775A1

  公开（公告）日：2021-11-04

  Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as fungicides.

  公式为（I）的化合物，其中取代基如权利要求1所定义，可用作杀虫剂，特别是作为杀真菌剂。
• Synthesis of [1]Benzothieno[2,3-<i>b</i>][1]benzothiophenes from 3-Arylbenzo[<i>b</i>]thiophenes through Iodine-Mediated Sulfur Insertion Reaction
  作者：Kazuki Ito、Shuta Sakai、Kazuhiro Yoshida

  DOI：10.1021/acs.joc.3c01618

  日期：2023.10.20

  The reaction of 3-arylbenzo[b]thiophenes and elemental sulfur to obtain [1]benzothieno[2,3-b][1]benzothiophenes (BTBTs) is reported. The addition of molecular iodine is essential for the reaction. In previous reactions that used 1,1-diarylethylenes as the starting material, side products that were difficult to separate were generated. The present reaction does not produce such side products and is

  报道了3-芳基苯并[ b ]噻吩与元素硫反应得到[1]苯并噻吩并[2,3- b ][1]苯并噻吩（BTBT）。分子碘的添加对于该反应至关重要。在以前使用1,1-二芳基乙烯作为起始原料的反应中，会产生难以分离的副产物。本反应不产生此类副产物，因此有利于以高收率和纯度获得BTBT。
• Banfield et al., Journal of the Chemical Society, 1956, p. 4791,4798
  作者：Banfield et al.

  DOI：——

  日期：——