5-Amino-1-tert-butoxycarbonyl-4-methylbenzimidazole | 170918-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5-Amino-1-tert-butoxycarbonyl-4-methylbenzimidazole
• 英文别名: tert-butyl 5-amino-4-methylbenzimidazole-1-carboxylate
• CAS: 170918-14-6
• 化学式: C₁₃H₁₇N₃O₂
• 分子量: 247.297
• InChiKey: VZYDDIRKUDTWCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二吡啶硫碳酸酯 、 5-Amino-1-tert-butoxycarbonyl-4-methylbenzimidazole 在 4-二甲氨基吡啶 silica gel 、 ethyl acetate n-hexane 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 以to afford 1-tert-butoxycarbonyl-4-methyl-5-benzimidazolylisothiocyanate as a white solid的产率得到1-tert-Butoxycarbonyl,4-methyl-5-benzimidazolylisothiocyanate
  参考文献：
  名称：

  5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2

  摘要：

  本发明涉及具有以下结构的化合物：##STR1## 其中：(a) R是未取代的C.sub.1-C.sub.3烷基或烯基；(b) R'从氢中选择；未取代的C.sub.1-C.sub.3烷基或烯基；未取代的C.sub.1-C.sub.3烷基硫或烷氧基；羟基；硫醇；氰基；和卤素；(c) R'从氢、甲基、乙基和异丙基中选择。本发明还涉及包含这种新化合物的药物组合物、其组成物和使用这种化合物预防或治疗呼吸道、眼部和/或胃肠道疾病的方法。

  公开号：

  US05541210A1
• 作为产物：
  描述：

  1-tert-butoxycarbonyl-4-methyl-5-nitrobenzimidazole 在 钯 ammonium formate 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 生成 5-Amino-1-tert-butoxycarbonyl-4-methylbenzimidazole
  参考文献：
  名称：

  US6172095

  摘要：

  公开号：

文献信息

• Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists
  申请人：——

  公开号：US20010000345A1

  公开（公告）日：2001-04-19

  This invention involves compounds having the following structure: 1 as described in the Claims; and enantiomers, optical isomers, stereoisomers, diastereomers, tautomers, addition salts, biohydrolyzable amides and esters thereof, as well as pharmaceutical compositions comprising such novel compounds. The invention also relates to the use of such compounds for preventing or treating disorders modulated by alpha-2 adrenoceptors.

  本发明涉及具有以下结构的化合物：1如权利要求所述；以及其对映异构体、光学异构体、立体异构体、顺反异构体、互变异构体、加合物盐、生物可水解酰胺和酯，以及包含这些新型化合物的药物组合物。本发明还涉及使用这些化合物预防或治疗通过α-2肾上腺素受体调节的疾病。
• Guanidinylamino heterocycle compunds useful as alpha-2 adrenoceptor agonists
  申请人：——

  公开号：US20020028950A1

  公开（公告）日：2002-03-07

  This invention involves compounds having the following structure: 1 as described in the claims; and enantiomers, optical isomers, stereoisomers, diastereomers, tautomers, addition salts, biohydrolyzable amides and esters thereof, as well as pharmaceutical compositions comprising such novel compounds. The invention also relates to the use of such compounds for preventing or treating disorders modulated by alpha-2 adrenoceptors.

  本发明涉及具有以下结构的化合物：1，如权利要求所述；以及其对映体、光学异构体、立体异构体、对映异构体、互变异构体、加成盐、生物水解酰胺和酯，以及包含这些新型化合物的制药组合物。本发明还涉及使用这些化合物预防或治疗通过α-2肾上腺素受体调节的疾病。
• 5-(2-imidazolinylamino) benzimidazole compounds useful as alpha-2
  申请人：The Procter & Gamble Company

  公开号：US05478858A1

  公开（公告）日：1995-12-26

  The subject invention involves compounds having the following structure: ##STR1## wherein: (a) R is unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; (b) R' is selected from hydrogen; unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; unsubstituted C.sub.1 -C.sub.3 alkylthio or alkoxy; hydroxy; thiol; cyano; and halo; and (c) R" is selected from hydrogen, methyl, ethyl and i-propyl. The subject invention also involves pharmaceutical compositions containing such novel compounds, and the use of such compounds for preventing or treating respiratory, ocular and/or gastrointestinal disorders.

  本发明涉及具有以下结构的化合物：##STR1## 其中：(a) R是未取代的C.sub.1-C.sub.3烷基或烯基；(b) R'被选择为氢；未取代的C.sub.1-C.sub.3烷基或烯基；未取代的C.sub.1-C.sub.3烷基硫醇或烷氧基；羟基；硫醇基；氰基；和卤素基；(c) R"被选择为氢，甲基，乙基和i-丙基。本发明还涉及含有这种新型化合物的制药组合物以及使用这种化合物预防或治疗呼吸道，眼部和/或胃肠道疾病。
• 5-(2-imidazolinylamino)benzimidazole compounds useful as
  申请人：The Procter & Gamble Company

  公开号：US05691370A1

  公开（公告）日：1997-11-25

  The subject invention involves compounds having the following structure: ##STR1## wherein: (a) R is unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; (b) R' is selected from hydrogen; unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; unsubstituted C.sub.1 -C.sub.3 alkylthio or alkoxy; hydroxy; thiol; cyano; and halo; and (c) R" is selected from hydrogen, methyl, ethyl and i-propyl. The subject invention also involves pharmaceutical compositions containing such novel compounds, compositions thereof and the use of such compounds for preventing or treating respiratory, ocular and/or gastrointestinal disorders.

  本发明涉及具有以下结构的化合物：##STR1##其中：(a) R为未取代的C.sub.1-C.sub.3烷基或烯基；(b) R'选自氢；未取代的C.sub.1-C.sub.3烷基或烯基；未取代的C.sub.1-C.sub.3烷硫基或烷氧基；羟基；硫醇基；氰基；和卤基；以及(c) R"选自氢、甲基、乙基和异丙基。本发明还涉及含有这种新化合物的药物组合物、其组成物和使用这种化合物预防或治疗呼吸道、眼部和/或胃肠道疾病。
• Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists
  申请人：——

  公开号：US20020095039A1

  公开（公告）日：2002-07-18

  This invention involves compounds having the following structure: 1 as described in the Claims; and enantiomers, optical isomers, stereoisomers, diastereomers, tautomers, addition salts, biohydrolyzable amides and esters thereof, as well as pharmaceutical compositions comprising such novel compounds. The invention also relates to the use of such compounds for preventing or treating disorders modulated by alpha-2 adrenoceptors.

  本发明涉及具有以下结构的化合物：1如权利要求所述；以及其对映体、光学异构体、立体异构体、顺反异构体、互变异构体、加成盐、生物可水解酰胺和酯，以及包含这种新型化合物的药物组合物。本发明还涉及使用这种化合物预防或治疗由α-2肾上腺素受体调节的疾病。