5-cyclohexyl-1,3,5-triazinan-2-thione | 2669-97-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: 5-cyclohexyl-1,3,5-triazinan-2-thione
• 英文别名: 5-cyclohexyl-1,3,5-triazinane-2-thione；5-cyclohexyl-tetrahydro-[1,3,5]triazine-2-thione；5-Cyclohexyl-tetrahydro-[1,3,5]triazin-2-thion
• CAS: 2669-97-8
• 化学式: C₉H₁₇N₃S
• mdl: MFCD00054550
• 分子量: 199.32
• InChiKey: NYIFUCGHCMSJJP-UHFFFAOYSA-N

物化性质

• 沸点：
  293.1±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  59.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N′-bis[(dimethylamino)methyl]thiourea 、 环己胺 在 SmCl₃*6H₂O 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以41%的产率得到5-cyclohexyl-1,3,5-triazinan-2-thione
  参考文献：
  名称：

  Synthesis of 5-alkyl-1,3,5-triazinan-2-ones and 5-alkyl-1,3,5-triazinane-2-thiones using Cu- and Sm-containing catalysts

  摘要：

  Efficient procedures have been developed for the synthesis of 5-alkyl-1,3,5-triazinan-2-ones and 5-alkyl-1,3,5-triazinane-2-thiones by reaction of urea (thiourea) with primary alkylamines and N,N,N',N'-tetramethylmethylenediamine and by reaction of primary amines with N,N'-bis(dimethylaminomethyl)urea(thiourea) in the presence of Cu- and Sm-containing catalysts.

  DOI：

  10.1134/s1070428013060171

文献信息

• Catalytic cycloaminomethylation of ureas and thioureas with N,N-bis(methoxymethyl)alkanamines
  作者：R. R. Khairullina、A. R. Geniyatova、E. S. Meshcheryakova、L. M. Khalilov、A. G. Ibragimov、U. M. Dzhemilev

  DOI：10.1134/s1070428015010200

  日期：2015.1

  An efficient procedure has been developed for the synthesis of 5-alkyl-1,3,5-triazinan-2-ones, 5-alkyl-1,3,5-triazinane-2-thiones, and 2,6-dialkylhexahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8(1H,5H)-diones by reactions of urea, thiourea, and tetrahydroimidazo[4,5-d]imidazole-2,5-(1H,3H)-dione with N,N-bis(methoxymethyl)alkanamines in the presence of SmCl3 · 6 H2O as catalyst.

  已经开发出一种有效的程序，用于合成5-烷基-1,3,5-三嗪二-2-酮，5-烷基-1,3,5-三嗪烷-2-硫酮和2,6-二烷基六氢-2 ，3a，4a，6,7a，8a-六氮杂环戊[ def ]芴-4,8 （1 H，5 H）-二酮通过脲，硫脲和四氢咪唑[4,5 - d ]咪唑-2,5的反应在SmCl 3 ·6 H 2 O作为催化剂的情况下，用N，N-双（甲氧基甲基）烷胺与-（1 H，3 H）-二酮。
• Stabilizers for improving the fastness of dyes
  申请人：THE GOODYEAR TIRE & RUBBER COMPANY

  公开号：EP0294309A2

  公开（公告）日：1988-12-07

  This invention relates to the use of compounds such as 3,5-dibutyl-1,3,5-oxadiazine-4-thione and tetrahydro-5-(2-butyl)-(S)-triazinethione as stabilizers to improve the dye fastness of colored fibers.

  本发明涉及使用 3,5-二丁基-1,3,5-恶二嗪-4-硫酮和四氢-5-(2-丁基)-(S)-三嗪硫酮等化合物作为稳定剂，以提高有色纤维的染色牢度。
• US4737155A
  申请人：——

  公开号：US4737155A

  公开（公告）日：1988-04-12
• Synthesis of 5-alkyl-1,3,5-triazinan-2-ones and 5-alkyl-1,3,5-triazinane-2-thiones using Cu- and Sm-containing catalysts
  作者：R. R. Khairullina、A. R. Geniyatova、A. G. Ibragimov、U. M. Dzhemilev

  DOI：10.1134/s1070428013060171

  日期：2013.6

  Efficient procedures have been developed for the synthesis of 5-alkyl-1,3,5-triazinan-2-ones and 5-alkyl-1,3,5-triazinane-2-thiones by reaction of urea (thiourea) with primary alkylamines and N,N,N',N'-tetramethylmethylenediamine and by reaction of primary amines with N,N'-bis(dimethylaminomethyl)urea(thiourea) in the presence of Cu- and Sm-containing catalysts.