lithium 4-methylbenzenecarbothioate | 89664-50-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: lithium 4-methylbenzenecarbothioate
• CAS: 89664-50-6
• 化学式: C₈H₇OS*Li
• 分子量: 158.15
• InChiKey: YIQSYDIVZZSTNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.31
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  三苯基氯化锡 、 lithium 4-methylbenzenecarbothioate 以 not given 为溶剂， 以45%的产率得到triphenyltin 4-methylbenzenecarbothioate
  参考文献：
  名称：

  Niyomura, Osamu; Kato, Shinzi; Kanda, Takahiro, Inorganic Chemistry, 1999, vol. 38, # 3, p. 507 - 518

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methylbenzothioic S-acid 在 lithium hydride 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 42.0h， 以49%的产率得到lithium 4-methylbenzenecarbothioate
  参考文献：
  名称：

  Kato, Shinzi; Oguri, Motohiro; Ishida, Masaru, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983, vol. 38, # 12, p. 1585 - 1590

  摘要：

  DOI：

文献信息

• Group 13 metal carbochalcogenoato complexes: Synthesis, X-ray structure analysis, and reactions
  作者：Norio Nakata、Shinzi Kato、Osamu Niyomura、Masahiro Ebihara

  DOI：10.1002/hc.21445

  日期：2018.12

  AbstractA series of alkali metal tetrakis(carbochalcogenoato)‐gallates and ‐indates M[M′(EOCR)4](solv.) (M = alkali metal; M′ = Ga, In; E = S, Se) and tris(carbodithioato)aluminum, ‐gallates and ‐indates M′ (SSCR)3 (M′ = Al, Ga, In) were prepared by the reactions of alkali metal carbochalcogenate with metal trihalogenides (M′X3; M′ = Al, Ga, In; X = Cl, Br) and by those of piperidinium carbodithioates or carbodithioic and carboselenoic acids with M′X3, respectively. An X‐ray molecular structure analysis revealed that they have an acetone molecule as a crystal solvent. The reactions of the potassium complexes K[M′ (EOCR)4](H2O) (E = S, Se) with methanol and primary and secondary amines gave the corresponding methyl ester and amides in good yields, while the reactions with iodomethane and iodine gave S‐ and Se‐methyl chalcogenoesters RCOEMe (E = S, Se) in good yields. Similar reactions of the tris(carbodithioato)gallates and ‐indates led to the corresponding O‐methyl thioesters, thioamides, and S‐methyl dithioesters in moderate to good yields. Oxidation of the tetrakis‐ and tris‐derivatives with iodine afforded the corresponding diacyl dichalcogenides (RCOE)2 (E = S, Se) and di(carbothioyl) disulfides in quantitative yields. These reactions appeared to occur on the carbonyl or selenium atom of the tetrakis compounds and on the sulfide sulfur or thiocarbonyl carbon atom of the tris‐compounds, respectively. A possible mechanism for these I2‐oxidation reactions is discussed.