27387-31-1
基本信息
9-甲基-1,2,3,4-四氢咔唑酮
1,2,3,9-四氢-9-甲基-4H-咔唑酮
N-甲基四氢咔唑酮
1,2,3,4-四氢-9-甲基咔唑-4-酮
1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
1,2,3,9-TETRAHYDRO-4-OXO-CARBAZOLE
1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOL-4-ONE
1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOLE-4-ONE
1,2,3,9-TETRAHYDRO-9-METHYL CARBAZOLE-4-ONE
9-METHYL-1,2,3,4-TETRAHYDRO-4-OXOCARBAZOLE
9-METHYL-1,2.3,4-TETRAHYDRO-4-OXOCARBAZOLE-4-ONE
9-METHYL-1,2,3,9-TETRAHYDRO-4H-CARBAZOL-4-ONE
9-METHYL-1,2,3,9-TETRAHYDRO-CARBAZOL-4-ONE
9-METHYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-4-ONE
1,2,3,9-Tetrahydro-9-Methyl-4H-Carbazole-4-One99%
N-Methylcarbazolone
1,2,3,9-Tetrahydro-9-Methyl-4H
1,2,3,4-TETRAHYDRO-9-METHCARBAZOL-4-ONE
1,2,3,9-Tetrahydro-4H-9-methyl-carbazole-4-one
N-METHYL-4-OXO-1,2,3,4-TETRAHYDROCARBAZOLE
1,2,3,4-tetrahydro-4-oxocarbazolt
1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOL-4-ONEONDANSETRON
物理化学性质
| 外观性状 | 1,2,3,4-四氢-9-甲基-4H-咔唑酮(27387-31-1)为类白色针状结晶性粉末。 |
| 熔点 | 199.0 to 203.0 °C |
| 沸点 | 383.5±11.0 °C(Predicted) |
| 密度 | 1.21±0.1 g/cm3(Predicted) |
| 储存条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated) |
| 形态 | neat |
| 颜色 | 白色至浅黄色 |
| BRN | 153862 |
| 主要应用 | pharmaceutical (small molecule) |
| InChI | InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey | HHJUJCWZKJMCLC-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(C=CC=C2)C2=C1CCCC2=O |
| CAS 数据库 | 27387-31-1(CAS DataBase Reference) |
安全数据
| 危险性符号(GHS) | ![]() GHS06 |
| 警示词 | 危险 |
| 危险性描述 | H301-H412 |
| 防范说明 | P264-P270-P273-P301+P310-P405-P501 |
| 危险品标志 | Xi,T |
| 危险类别码 | 36/37/38-52/53-25 |
| 安全说明 | 22-24/25-61-45 |
| 危险品运输编号 | UN 2811 6.1 / PGIII |
| WGK Germany | WGK 3 |
| 海关编码 | 2933998090 |
| 存储类别 | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| 危险性类别 | Acute Tox. 3 Oral Aquatic Chronic 3 |
应用领域
制备方法
15128-52-6
4637-24-5
27387-31-1
以2,3-二氢-1H-咔唑-4(9H)-酮(1.0 mmol)和N,N-二甲基甲酰胺二甲基缩醛(10 mmol)为原料,在N,N-二甲基甲酰胺(5.0 mL)中回流反应1.0小时。反应完成后,将混合物冷却至室温,用乙酸乙酯(2×25 mL)萃取。分离有机层,用饱和盐水溶液洗涤,随后用无水Na2SO4干燥。减压浓缩除去溶剂,所得固体用乙醇重结晶,得到白色针状晶体,收率71%,熔点188-190℃。IR(cm-1): 1695(C=O)。1H NMR(400 MHz, CDCl3)δ: 2.24-2.27(t, 2H, CH2, J = 6.28 Hz), 2.56-2.59(t, 2H, CH2, J = 6.0 Hz), 2.91-2.94(t, 2H, CH2, J = 6.21 Hz), 3.70(s, 3H, NCH3), 7.27-7.30(m, 3H, Ph), 8.24-8.26(m, 1H, Ph)。元素分析计算值(C13H13NO): C, 78.36; H, 6.58; N, 7.03%。实测值: C, 78.29; H, 6.49; N, 6.92%。
参考文献:
[1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53B, # 12, p. 1606 - 1610
[2] Journal of Molecular Structure, 2014, vol. 1080, p. 137 - 144
[3] Russian Chemical Bulletin, 2005, vol. 54, # 8, p. 1887 - 1891
常见问题列表
1,2,3,4-四氢-9-甲基-4H-咔唑酮(昂丹司琼EP杂质C)用于制备5-HT3调节剂,治疗和预防介导疾病。本品是昂丹司琼的杂质。
1,2,3,9-四氢-9-甲基咔唑酮价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | T2942 | 1,2,3,4-四氢-9-甲基咔唑-4-酮 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one | 27387-31-1 | 5g | 25元 |
| 2026/09/15 | XW022738731104 | 1,2,3,4-四氢-9-甲基-4H-咔唑酮 | 27387-31-1 | 100G | 447元 |
| 2026/09/15 | T2942 | 1,2,3,4-四氢-9-甲基咔唑-4-酮 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one | 27387-31-1 | 25g | 110元 |
