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27387-31-1

中文名称 1,2,3,4-四氢-9-甲基-4H-咔唑酮
英文名称 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
CAS 27387-31-1
分子式 C13H13NO
MDL 编号 MFCD00173748
分子量 199.25
MOL 文件 27387-31-1.mol
更新日期 2025/08/13 14:38:23
27387-31-1 结构式 27387-31-1 结构式

基本信息

中文别名
1,2,3,4-四氢-9-甲基-4H-咔唑酮
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
英文别名
1,2,3,4-TETRAHYDRO-9METHYL-4H-CARBAZOLE-4-ONE
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
所属类别
分析化学:离子色谱试剂

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
BRN153862
InChIInChI=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
InChIKeyHHJUJCWZKJMCLC-UHFFFAOYSA-N
SMILESN1(C)C2=C(C=CC=C2)C2=C1CCCC2=O

安全数据

危险性符号(GHS)GHS hazard pictograms
GHS06
警示词危险
危险性描述H301-H412
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
海关编码2933998090

应用领域

用途一
用作药物蒽丹西酮的中间体

制备方法

方法1
1,2,3,9-四氢-4H-2-咔唑-4-酮

15128-52-6

N,N-二甲基甲酰胺二甲基缩醛

4637-24-5

1,2,3,9-四氢-9-甲基咔唑酮

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

用途

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
2025/05/22T29421,2,3,4-四氢-9-甲基咔唑-4-酮
1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
27387-31-15g80元
2025/05/22T29421,2,3,4-四氢-9-甲基咔唑-4-酮
1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
27387-31-125g310元
2025/05/22XW0227387311041,2,3,4-四氢-9-甲基-4H-咔唑酮27387-31-1100G455元
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