1-(2-hydroxymethyl-1-methyl-1H-benzoimidazol-5-yl)-ethanone | 66353-40-0

• 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: 1-(2-hydroxymethyl-1-methyl-1H-benzoimidazol-5-yl)-ethanone
• 英文别名: 5-acetyl-1-methyl-benzimidazole-2-methanol；1-(2-(hydroxymethyl)-1-methyl-1H-benzo[d]imidazol-5-yl)ethanone；5-Acetyl-1-methyl-1H-benzimidazole-2-methanol；1-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]ethanone
• CAS: 66353-40-0
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: CDHIAFMPEFFVPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxymethyl-1-methyl-1H-benzoimidazol-5-yl)-ethanone 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 1-(1-methyl-2-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-5-yl)ethanone trifluoroacetate
  参考文献：
  名称：

  FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION

  摘要：

  该发明涉及噻唑I及其治疗和预防用途，其中变量A、Q、J、R1、R3和R5在规范中有定义。治疗和/或预防的疾病包括类风湿性关节炎。

  公开号：

  US20120129872A1

文献信息

• Acyl-benzimidazole-2-methanol derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04213993A1

  公开（公告）日：1980-07-22

  New heterocyclylcarboxylic acid derivatives which are acylated in the nucleus, especially benz-acyl-benzimidazole-2-carboxylic acid derivatives of the formula ##STR1## in which R is a free, esterified or amidated carboxyl group or a free, etherified or esterified hydroxymethyl group, R.sub.1 is an aliphatic, cycloaliphatic, aromatic, araliphatic, heterocyclic or heterocyclic-aliphatic radical, R.sub.2 is hydrogen or an aliphatic radical and Ph is a 1,2-phenylene group containing the radical R.sub.1 --C(.dbd.O)--, with the proviso that R.sub.1 contains at least 2 carbon atoms if Ph is otherwise unsubstituted, R.sub.2 is ethyl and R is acetoxymethyl, and salts of such compounds having salt-forming properties, are useful as anti-allergic agents.

  新的杂环羧酸衍生物在核内进行酰化，特别是公式为##STR1##的苯乙酰基苯并咪唑-2-羧酸衍生物，其中R是自由的、酯化的或酰胺化的羧基或自由的、醚化的或酯化的羟甲基基团，R.sub.1是脂肪族、环脂族、芳香族、芳基脂肪族、杂环族或杂环脂肪族基团，R.sub.2是氢或脂肪基团，Ph是包含基团R.sub.1 --C(.dbd.O)--的1,2-苯基烷基，但前提是如果Ph未被其他基团取代，R.sub.1至少包含2个碳原子，R.sub.2是乙基，R是乙酰氧甲基，以及具有成盐性质的这些化合物的盐，可用作抗过敏剂。
• Benz-acylbenzimidazole-2-carboxylic acid derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04141982A1

  公开（公告）日：1979-02-27

  New heterocyclylcarboxylic acid derivatives which are acylated in the nucleus, especially benz-acyl-benzimidazole-2-carboxylic acid derivatives of the formula ##STR1## in which R is a free, esterified or amidated carboxyl group or a free, etherified or esterified hydroxymethyl group, R.sub.1 is an aliphatic, cycloaliphatic, aromatic, araliphatic, heterocyclic or heterocyclic-aliphatic radical, R.sub.2 is hydrogen or an aliphatic radical and Ph is a 1,2-phenylene group containing the radical R.sub.1 --C(.dbd.O)--, with the proviso that R.sub.1 contains at least 2 carbon atoms if Ph is otherwise unsubstituted, R.sub.2 is ethyl and R is acetoxymethyl, and salts of such compounds having salt-forming properties, are useful as anti-allergic agents.

  新的杂环羧酸衍生物在核中被酰化，特别是公式##STR1##中的苯乙酰苯并咪唑-2-羧酸衍生物。其中R是自由的，酯化的或酰胺化的羧基或自由的，醚化的或酯化的羟甲基基团，R.sub.1是脂肪，环脂肪，芳香，芳基脂肪，杂环或杂环-脂肪基团，R.sub.2是氢或脂肪基团，Ph是含有基团R.sub.1--C(.dbd.O)--的1,2-苯基烷基团，前提是如果Ph否则未取代，则R.sub.1至少含有2个碳原子，R.sub.2为乙基，R为乙酰氧甲基，以及具有成盐性质的这些化合物的盐，可用作抗过敏剂。
• Benz-acyl-benzimidazole derivatives and antiallergic compositions
  申请人：Ciba-Geigy Corporation

  公开号：US04344957A1

  公开（公告）日：1982-08-17

  New heterocyclylcarboxylic acid derivatives which are acylated in the nucleus, especially benz-acyl-benzimidazole-2-carboxylic acid derivatives of the formula ##STR1## in which R is a free, esterified or amidated carboxyl group or a free, etherified or esterified hydroxymethyl group, R.sub.1 is an aliphatic, cycloaliphatic, aromatic, araliphatic, heterocyclic or heterocyclic-aliphatic radical, R.sub.2 is hydrogen or an aliphatic radical and Ph is a 1,2-phenylene group containing the radical R.sub.1 --C(.dbd.O)--, with the proviso that R.sub.1 contains at least 2 carbon atoms if Ph is otherwise unsubstituted, R.sub.2 is ethyl and R is acetoxymethyl, and salts of such compounds having salt-forming properties, are useful as anti-allergic agents.

  新的杂环羧酸衍生物，在核内酰化，特别是公式为##STR1## 的苯乙酰基苯并咪唑-2-羧酸衍生物，其中R是自由的、酯化的或酰胺化的羧基或自由的、醚化的或酯化的羟甲基基团，R.sub.1是脂肪烃基、环状脂肪烃基、芳香族基、芳基脂肪基基团、杂环基或杂环-脂肪基基团，R.sub.2是氢或脂肪基，Ph是含有基团R.sub.1--C(.dbd.O)--的1,2-苯基基团，但前提是如果Ph未被其他基团取代，则R.sub.1至少含有2个碳原子，R.sub.2为乙基，R为乙酰氧甲基，以及具有盐形成性质的这种化合物的盐，可用作抗过敏剂。
• US4141982A
  申请人：——

  公开号：US4141982A

  公开（公告）日：1979-02-27
• US4213993A
  申请人：——

  公开号：US4213993A

  公开（公告）日：1980-07-22