N,N''-bis(tert-butoxycarbonyl)-1-methyl-2-thiourea | 182883-92-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N''-bis(tert-butoxycarbonyl)-1-methyl-2-thiourea
• 英文别名: N,N'-bis-(tert-butoxycarbonyl)-methyl thioisourea；tert-butyl N-methyl-N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
• CAS: 182883-92-7
• 化学式: C₁₂H₂₂N₂O₄S
• 分子量: 290.384
• InChiKey: SBCLSTWHYCWVLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N''-bis(tert-butoxycarbonyl)-1-methyl-2-thiourea 在 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 3.0h， 生成 tert-butyl N-methyl-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-phenylcarbamimidoyl]carbamate
  参考文献：
  名称：

  Conversion of anilines to bis-Boc protected N-methylguanidines

  摘要：

  The reaction of a variety of anilines with a new N-methylguanylating agent 5 to produce bis-Boc protected N-methylguanidines is reported. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)01487-6
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 N-甲硫脲 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以42.3%的产率得到N,N''-bis(tert-butoxycarbonyl)-1-methyl-2-thiourea
  参考文献：
  名称：

  固相合成低聚胍盐

  摘要：

  通过固相有机合成制备的含有胍键的低聚物作为可能的治疗剂以及在超分子结构的组装中是令人感兴趣的。在充分发挥其潜力之前，必须开发出通往这些低聚物的有效途径。在此，描述了用于它们的逐步固相合成的四种途径。首先，使用2-氯-1-甲基吡啶碘化物将与树脂结合的硫脲转化为胍盐。第二种方法利用aza-Wittig偶联剂从树脂结合的碳二亚胺制备胍盐。接下来，由双酯制备的高活化单体丁氧基羰基硫脲和2,4-二硝基氟苯与末端胺反应后形成胍鎓。然而，最佳途径依赖于1-（3-二甲基氨基丙基）-3-乙基碳二亚胺盐酸盐促进受保护的硫脲单体与树脂结合的胺的偶联以产生胍键。用于该方法的硫脲单体易于从单保护的二胺和苯甲酰基-或Fmoc-异硫氰酸酯制备。该过程很简单，可以在相对较短的时间内干净地进行，并且与几个功能组兼容。

  DOI：

  10.1016/s0040-4020(98)00900-4

文献信息

• Novel aromatic compounds possessing antifungal or antibacterial activity
  申请人：——

  公开号：US20040063645A1

  公开（公告）日：2004-04-01

  The present invention provides novel compounds possessing antibacterial, antifungal, antiviral, anticancer, and/or antiparasitic activities. Pharmaceutical compositions containing these compounds, methods of making and methods for using these compounds are also provided.

  本发明提供了具有抗菌、抗真菌、抗病毒、抗癌和/或抗寄生虫活性的新化合物。还提供了含有这些化合物的药物组合物、制备这些化合物的方法以及使用这些化合物的方法。
• Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions
  作者：Zhidong Ma、Cynthia S. Day、Ulrich Bierbach

  DOI：10.1021/jo0705972

  日期：2007.7.1

  9-aminoacridine chromophore is an important building block of DNA-targeted chemotherapeutic agents. The success of 1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea as a carrier group in cytotoxic platinum−intercalator conjugates prompted us to explore the synthesis of an analogous guanidine-functionalized acridine. In a successful effort to generate such a derivative, various methods of guanidylation were

  9-氨基ac啶发色团是靶向DNA的化学治疗剂的重要组成部分。1- [2-（acridin-9-ylamino）ethyl] -1,3-methylthiourea作为细胞毒性铂-嵌入剂偶联物中的载体的成功促使我们探索类似的胍官能化a啶的合成。为了成功生成这种衍生物，采用了多种胍基化方法，这些方法表明a啶C9-N9键对电子和亲核攻击高度敏感。新建立的反应性为新型的环状和螺环cr啶衍生物提供了有效的途径。
• Acylated amine compounds which are useful fungicigal agents
  申请人：Roussel Uclaf

  公开号：US05064861A1

  公开（公告）日：1991-11-12

  A compound selected from the group consisting of a compound of the formula ##STR1## wherein R.sub.1 is selected from the group consisting of Ar-O- and aryl, polyaryl and condensed polyaryl unsubstituted or substituted and heterocycle unsubstituted or substituted, Ar is aryl of 6 to 14 carbon atoms unsubstituted or substituted, heteroaryl unsubstituted or substituted and heterocyclic unsubstituted or substituted, W is selected from the group comsisting of --(CH.sub.2).sub.n.sbsb.1 --or --(CH.sub.2).sub.n.sbsb.2 --NY--(CH.sub.2).sub.n.sbsb.3, n.sub.1, n.sub.2 and n.sub.3 are individually integers from 2 to 6, Y is selected from the group consisting of hydrogen, alkyl of 1 to 12 carbon atoms, aryl of 6 to 12 carbon atoms and aralkyl of 7 to 14 carbon atoms unsubstituted or substituted, --COOAlk and --COR.sub.2, Alk is alkyl of 1 to 12 carbon atoms, R.sub.2 is selected from the group consisting of alkyl of 1 to 12 carbon atoms, alkenyl and alkynyl of 2 to 12 carbon atoms, aryl of 6 to 14 carbon atoms, aralkyl of 7 to 18 carbon atoms unsubstituted or substituted and heterocyclic unsubstituted or substituted, Z is selected from the group consisting of hydrogen, ##STR2## R.sub.2 is alkyl of 1 to 12 carbon atoms or aralkyl of 7 to 18 carbon atoms, Alk' is alkyl of 1 to 12 carbon atoms, ArAlk is aralkyl of 7 to 18 carbon atoms, R.sub.2 ' is R.sub.2, R.sub.3 and R.sub.3 ' are selected from the group consisting of aryl substituted or unsubstituted, heteroaryl substituted or unsubstituted, heterocyclic unsubstituted or substituted and R.sub.1 with the proviso that Z is not hydrogen when W is --(CH.sub.2).sub.3 --and R.sub.1 is 2,4-dichlorophenoxy and their non-toxic, pharmaceutically acceptable acid addition salts having fungicidal activity.

  所选化合物来自组中的化合物，该组化合物具有公式##STR1##其中，R.sub.1选自Ar-O-和芳基，多芳基和缩合多芳基未取代或取代和未取代或取代的杂环，Ar是未取代或取代的6至14个碳原子的芳基，未取代或取代的杂芳基和未取代或取代的杂环，W选自--（CH.sub.2）.sub.n.sbsb.1 --或--（CH.sub.2）.sub.n.sbsb.2 --NY--（CH.sub.2）.sub.n.sbsb.3的组中，n.sub.1，n.sub.2和n.sub.3分别是2至6的整数，Y选自氢，1至12个碳原子的烷基，6至12个碳原子的芳基和7至14个碳原子未取代或取代的芳基烷基，-COOAlk和-COR.sub.2，Alk是1至12个碳原子的烷基，R.sub.2选自1至12个碳原子的烷基，2至12个碳原子的烯烃和炔烃，6至14个碳原子的芳基，未取代或取代的7至18个碳原子的芳基烷基和未取代或取代的杂环，Z选自氢，##STR2##R.sub.2是1至12个碳原子的烷基或7至18个碳原子的芳基烷基，Alk'是1至12个碳原子的烷基，ArAlk是7至18个碳原子的芳基烷基，R.sub.2'是R.sub.2，R.sub.3和R.sub.3'选自取代或未取代的芳基，取代或未取代的杂芳基，未取代或取代的杂环和R.sub.1，但条件是当W为--（CH.sub.2）.sub.3 --且R.sub.1为2,4-二氯苯氧时，Z不是氢，以及其无毒，药学上可接受的酸盐，具有杀真菌活性。
• 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Pitts J. William

  公开号：US20060270654A1

  公开（公告）日：2006-11-30

  The present invention provides for tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 5 , R 6 , R 7 , and R 8 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式(I)的三环化合物，其中R1，R2，R5，R6，R7和R8如本文所述。本发明还提供了包含这种化合物的药物组合物，以及使用这种化合物治疗炎症和免疫性疾病的方法。
• 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME
  申请人：Pitts William J.

  公开号：US20100210629A1

  公开（公告）日：2010-08-19

  The present invention provides for tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 5 , R 6 , R 7 , and R 8 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式（I）的三环化合物，其中R1、R2、R5、R6、R7和R8如本文所述。本发明还提供了包含这些化合物的药物组合物，以及使用这些化合物治疗炎症和免疫性疾病的方法。