26663-77-4
基本信息
苯并咪唑-5-甲酸甲酯
苯并[D]咪唑-5 - 羧酸甲酯
苯并咪唑-5-甲酸甲酯(CAS号:26663-77-4)
5-(Methoxycarbonyl)benziMidazole
Methyl 5-BenziMidazolecarboxylate
METHYL BENZIMIDAZOLE-5-CARBOXYLATE
MethylBenzimidazole-5-carboxylate>
METHYL 1H-BENZIMIDAZOLE-5-CARBOXYLATE
methyl 1H-benzo[d]imidazole-6-carboxylate
methyl 1H-benzo[d]imidazole-5-carboxylate
5-BenziMidazolecarboxylic Acid Methyl Ester
Benzimidazole-5-carboxylic acid methyl ester
物理化学性质
| 熔点 | 139 °C |
| 沸点 | 416.2±18.0 °C(Predicted) |
| 密度 | 1.324±0.06 g/cm3(Predicted) |
| 储存条件 | Inert atmosphere,Room Temperature |
| 酸度系数(pKa) | 11.67±0.10(Predicted) |
| 形态 | powder to crystal |
| 颜色 | White to Light yellow to Light orange |
| InChI | InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7-8(4-6)11-5-10-7/h2-5H,1H3,(H,10,11) |
| InChIKey | WJHHIVYNOVTVGY-UHFFFAOYSA-N |
| SMILES | C1NC2=CC(C(OC)=O)=CC=C2N=1 |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H319-H335-H315 |
| 防范说明 | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| 危险品标志 | Xi |
| Hazard Note | Irritant |
| 海关编码 | 2933998090 |
制备方法
67-56-1
15788-16-6
26663-77-4
以甲醇和1H-苯并咪唑-5-羧酸为原料合成苯并咪唑-5-甲酸甲酯的一般步骤: (a)甲基1H-苯并咪唑-5-羧酸酯的合成 将亚硫酰氯(0.135 mL,1.85 mmol)缓慢滴加到1H-苯并咪唑-5-羧酸(0.300 g,1.85 mmol)的甲醇(50.0 mL)溶液中。将反应混合物回流12小时。反应完成后,将混合物倒入饱和碳酸氢钠水溶液中,充分搅拌。分离有机层,水层用乙酸乙酯(3×15 mL)萃取。合并有机层,用无水硫酸镁干燥,过滤,减压浓缩,得到紫色固体产物,收率为90%。粗产物无需进一步纯化即可用于后续反应。[MS (ES+) m/e 177 [M + H]+]。
参考文献:
[1] Patent: WO2005/82901, 2005, A1. Location in patent: Page/Page column 91
[2] Patent: WO2013/26914, 2013, A1. Location in patent: Page/Page column 125
[3] Patent: WO2007/103755, 2007, A2. Location in patent: Page/Page column 111
[4] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 20, p. 2925 - 2930
[5] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 24, p. 3161 - 3164
苯并咪唑-5-甲酸甲酯价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/06/06 | M2582 | 苯并咪唑-5-甲酸甲酯 Methyl Benzimidazole-5-carboxylate | 26663-77-4 | 1g | 160元 |
| 2024/08/19 | XW266637743 | 苯并咪唑-5-甲酸甲酯 methyl benzimidazole-5-carboxylate;methyl 1h-benzimidazole-5-carboxylate;benzimidazole-5-carboxylic acid methyl ester;1h-benzimidazole-6-carboxylic acid methyl ester | 26663-77-4 | 25G | 737元 |
| 2024/08/19 | XW266637742 | 苯并咪唑-5-甲酸甲酯 methyl benzimidazole-5-carboxylate;methyl 1h-benzimidazole-5-carboxylate;benzimidazole-5-carboxylic acid methyl ester;1h-benzimidazole-6-carboxylic acid methyl ester | 26663-77-4 | 5G | 117元 |
