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1,2-二氨基-3-甲氧基苯
3-甲氧基邻苯二胺 · 埃索美拉唑杂质29 · 埃索美拉唑杂质45 · 埃索美拉唑杂质81 · 2,3-二氨基苯甲醚 · 3-甲氧基-O-苯二胺 · 2-氨基-3-甲氧基苯胺 · 3-甲氧基-1,2-苯二胺
标识与物理属性
| CAS No. | 37466-89-0 |
|---|---|
| 分子式 | C7H10N2O |
| 平均分子量 | 138.17 g/mol |
| 单同位素质量 | 138.07931295 g/mol |
| SMILES | COc1cccc(N)c1N |
| InChIKey | BFLWXPJTAKXXKT-UHFFFAOYSA-N |
| PubChem CID | 184268 |
| EC No. | 815-861-5 |
| DTXSID | DTXSID20276664 |
| 中文名 | 1,2-二氨基-3-甲氧基苯 |
化学与物理性质
| XLogP | 0.5 |
|---|---|
| 极性表面积 | 61.3 |
| 氢键供体 | 2 |
| 氢键受体 | 3 |
| 可旋转键 | 1 |
| 重原子 | 10 |
| 形式电荷 | 0 |
| 复杂度 | 108 |
| 熔点 | 77-78℃ |
| 沸点 | 114-116 °C(Press: 0.5 Torr) |
| 密度 | 1.170±0.06 g/cm3(Predicted) |
| 储存条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 溶解性 | Chloroform (Slightly), Methanol (Slightly)Slightly soluble in water. |
| pKa（酸度系数） | 4.10±0.10(Predicted) |
| 形态 | solid |
| 颜色 | Black |
| 敏感性 | Air Sensitive |
| CAS 数据库 | 37466-89-0 |
安全与法规
| GHS 分类 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 危险类别 | 6.1 |
| 海关编码 | 2922290090 |
制备与合成方法
生产方法
以2-硝基-3-甲氧基苯胺为原料合成1,2-二氨基-3-甲氧基苯的一般步骤：向2-硝基-3-甲氧基苯胺（90 mg，0.54 mmol）的乙醇（3 mL）溶液中加入5%钯碳催化剂（18 mg，20 wt%）。将反应混合物在室温下于氢气氛围中搅拌18小时。反应完成后，通过硅藻土过滤去除催化剂，随后蒸发滤液，得到目标产物3-甲氧基-1,2-苯二胺（73 mg，产率100%）。参考文献：[1] Patent: WO2006/50506, 2006, A1. Location in patent: Page/Page column 126[2] Bulletin of the Korean Chemical Society, 2010, vol. 31, # 11, p. 3441 - 3444[3] Patent: EP2168959, 2010, A1. Location in patent: Page/Page column 121[4] Patent: EP2168960, 2010, A1. Location in patent: Page/Page column 61-62[5] Patent: US2011/301170, 2011, A1. Location in patent: Page/Page column 29