piperidinium 2-methylbenzenecarbodithioate | 53724-31-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: piperidinium 2-methylbenzenecarbodithioate
• 英文别名: 2-methylbenzenecarbodithioate;piperidin-1-ium
• CAS: 53724-31-5
• 化学式: C₅H₁₂N*C₈H₇S₂
• 分子量: 253.433
• InChiKey: XEWVSCDWJDXYST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  12.03
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  piperidinium 2-methylbenzenecarbodithioate 在 sodium azide 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 5-(2-methylphenyl)-1,2,3,4-thiatriazole
  参考文献：
  名称：

  A Convenient Synthesis of 5-Alkyl- and 5-Aryl-1,2,3,4-thiatriazoles

  摘要：

  甲基-2-硫代酰基硫代吡啶盐与叠氮化钠反应，以良好产率得到5-烷基-和5-芳基-1,2,3,4-噻三唑类化合物。

  DOI：

  10.1055/s-1990-26891

文献信息

• Structural analysis of phenyl-germanium, -tin, and -lead dithiocarboxylates [(RCSS) MPh4−, M=Ge, Sn, Pb; x=1–3]: affinity between thiocarbonyl sulfur and Group 14 elements
  作者：Shinzi Kato、Kazuyasu Tani、Nobuyuki Kitaoka、Kohzaburoh Yamada、Hiroyuki Mifune

  DOI：10.1016/s0022-328x(00)00453-8

  日期：2000.10

  or skewed trapezoidal bipyramid, where the two dithiocarboxylate groups are bound to the Sn atom as an anisobidentate ligand, and the tin tris(dithiocarboxylate) (5c) exhibits a seven-coordinated pentagonal bipyramid. The distance between the thiocarbonyl sulfur and the Sn atom in 4-CH3C6H4CSSMPh3 (M=Ge, Sn, Pb) is shorter than those in the corresponding germanium and lead derivatives. Based on these

  合成了一系列RCSSGePh 3，（RCSS）2 GePh 2，（RCSS）3 SnPh和（RCSS）2 PbPh 2，并合成了一些对甲苯基衍生物[RCSSMPh 3（R = 4-CH 3 C 6 H 4，M = Ge：1d，Sn：3d，Pb：6d）和（4-CH 3 C 6 H 4 CSS）2 SnPh 2（4d）]和邻甲苯基衍生物[（2-CH 3 C 6 H通过X射线分析了4 CSS）3 SnPh：（5c）]。结果表明，硫代羰基硫与第14组中心元素金属之间的分子内非键相互作用。单二硫代羧酸盐（1d，3d和6d）在第14组中心元素周围显示出扭曲的四面体结构。二苯基锡双（二硫代羧酸盐）（4d）表现为扭曲的八面体或偏斜梯形双金字塔，其中两个二硫代羧酸盐基团作为异双峰配体键合到Sn原子上，而锡三（二硫代羧酸盐）（5c）具有七配位的五边形双锥体。4-CH 3 C 6 H 4 CSSMPh 3（M =
• A Convenient Preparation of Bis(thioacyl) Sulfides
  作者：Shinzi Kato、Hiroki Masumoto、Masahiro Kimura、Toshiaki Murai、Masaru Ishida

  DOI：10.1055/s-1987-27928

  日期：——

  Bis(thioacyl) sulfides are prepared in 60-90% yield in a one pot reaction of piperidinium or alkali metal dithiocarboxylates with 2-chloro-1-methylpyridinium iodide at room temperature.

  双（硫酰基）硫化物通过在室温下将哌啶铵或碱金属二硫代羧酸盐与2-氯-1-甲基吡啶碘化物进行一锅反应制备，产率为60-90%。
• 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.
• Kato, Shinzi; Masumoto, Hiroki; Ikeda, Shin-ichi, Zeitschrift fur Chemie, 1990, vol. 30, # 2, p. 67 - 69
  作者：Kato, Shinzi、Masumoto, Hiroki、Ikeda, Shin-ichi、Itoh, Masahiro、Murai, Toshiaki、Ishihara, Hideharu

  DOI：——

  日期：——
• Kato, Shinzi; Itoh, Yuhji; Ohta, Yasuyuki, Chemische Berichte, 1985, vol. 118, # 4, p. 1696 - 1708
  作者：Kato, Shinzi、Itoh, Yuhji、Ohta, Yasuyuki、Goto, Kunio、Kimura, Masahiro、et al.

  DOI：——

  日期：——