1-Cyclohexyl-2-benzoylguanidine | 79564-23-1

• 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: 1-Cyclohexyl-2-benzoylguanidine
• 英文别名: N-(N'-cyclohexylcarbamimidoyl)benzamide
• CAS: 79564-23-1
• 化学式: C₁₄H₁₉N₃O
• 分子量: 245.324
• InChiKey: CBPZAIMAIBHXRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-phenylethyl N-benzoyl-N'-cyclohexylcarbamimidothioate 以77%的产率得到
  参考文献：
  名称：

  NAGASAWA, HIROSHI;MITSUNOBU, OYO, BULL. CHEM. SOC. JAP., 1981, 54, N 7, 2223-2224

  摘要：

  DOI：

文献信息

• Alkylation of Thioureas and Related Compounds by Use of Alcohols, Diethyl Azodicarboxylate, and Triphenylphosphine
  作者：Hiroshi Nagasawa、Oyo Mitsunobu

  DOI：10.1246/bcsj.54.2223

  日期：1981.7

  The alkylation of ambident nucleophiles having a thiocarbonyl group by use of alcohols, diethyl azodicarboxylate, and triphenylphosphine was studied. Selective S-alkylation took place in the cases of N-benzoyl-N′-mono- and -disubstituted thioureas, while selective N-alkylation occurred in the reaction of N-phenyl-N′,N′-diethylthiourea. 1-Methoxymethyl-2-thiouracil afforded both N-alkylated and S-alkylated

  研究了使用醇、偶氮二羧酸二乙酯和三苯基膦对具有硫代羰基的双亲核试剂进行烷基化。N-苯甲酰基-N'-单和-二取代硫脲发生选择性S-烷基化反应，而N-苯基-N',N'-二乙基硫脲反应发生选择性N-烷基化反应。1-甲氧基甲基-2-硫尿嘧啶得到N-烷基化和S-烷基化产物。
• Studies in the Pyrazole Series. VIII.¹ Aminolyses of Some 3,5-Dimethyl-1-acylguanylpyrazoles
  作者：F. L. SCOTT

  DOI：10.1021/jo01363a008

  日期：1957.12.1
• A simple one-pot methodology for the synthesis of substituted benzoylguanidines from benzoylthioureas using tert-butyl hydroperoxide
  作者：Henrique Esteves、Ângelo de Fátima、Rosane de P. Castro、José R. Sabino、Fernando Macedo、Tiago Oliveira Brito

  DOI：10.1016/j.tetlet.2015.10.088

  日期：2015.12

  The potential of tert-butyl hydroperoxide as a reagent in the guanylation of benzoylthioureas in the presence of amines has been evaluated in a systematic study involving substrates bearing N-2-substituents with different electronic properties. The results show that (BuOOH)-Bu-t is a suitable and robust reagent for the synthesis of either N-1,N-2,N-3-tri- and tetrasubstituted or N-1,N-2-disubstituted guanidines from N-2-substituted N-1-benzoylthioureas and N-1-benzoylthioureas, respectively. The recrystallised guanylation adducts were readily obtained in good yields and at high purity levels after a simple one-pot reaction procedure. The crystal structures of two novel benzoylguanidines are provided. (C) 2015 Elsevier Ltd. All rights reserved.