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27387-31-1

中文名稱(chēng) 1,2,3,4-四氫-9-甲基-4H-咔唑酮
英文名稱(chēng) 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
CAS 27387-31-1
分子式 C13H13NO
MDL 編號(hào) MFCD00173748
分子量 199.25
MOL 文件 27387-31-1.mol
更新日期 2025/08/08 17:11:50
27387-31-1 結(jié)構(gòu)式 27387-31-1 結(jié)構(gòu)式

基本信息

中文別名
1,2,3,4-四氫-9-甲基-4H-咔唑酮
9-甲基-1,2,3,4-四氫咔唑酮
1,2,3,9-四氫-9-甲基-4H-咔唑酮
N-甲基四氫咔唑酮
1,2,3,4-四氫-9-甲基咔唑-4-酮
英文別名
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
所屬類(lèi)別
分析化學(xué):離子色譜試劑

物理化學(xué)性質(zhì)

外觀性狀1,2,3,4-四氫-9-甲基-4H-咔唑酮(27387-31-1)為類(lèi)白色針狀結(jié)晶性粉末。
熔點(diǎn)199.0 to 203.0 °C
沸點(diǎn)383.5±11.0 °C(Predicted)
密度1.21±0.1 g/cm3(Predicted)
儲(chǔ)存條件Keep in dark place,Sealed in dry,Room Temperature
溶解度Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
形態(tài)neat
顏色白色至淺黃色
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
CAS 數(shù)據(jù)庫(kù)27387-31-1(CAS DataBase Reference)

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)GHS hazard pictograms
GHS06
警示詞危險(xiǎn)
危險(xiǎn)性描述H301-H412
危險(xiǎn)品標(biāo)志Xi,T
危險(xiǎn)類(lèi)別碼36/37/38-52/53-25
安全說(shuō)明22-24/25-61-45
危險(xiǎn)品運(yùn)輸編號(hào)UN 2811 6.1 / PGIII
海關(guān)編碼2933998090

應(yīng)用領(lǐng)域

用途一
用作藥物蒽丹西酮的中間體

制備方法

方法1
1,2,3,9-四氫-4H-2-咔唑-4-酮

15128-52-6

N,N-二甲基甲酰胺二甲基縮醛

4637-24-5

1,2,3,9-四氫-9-甲基咔唑酮

27387-31-1

以2,3-二氫-1H-咔唑-4(9H)-酮(1.0 mmol)和N,N-二甲基甲酰胺二甲基縮醛(10 mmol)為原料,在N,N-二甲基甲酰胺(5.0 mL)中回流反應(yīng)1.0小時(shí)。反應(yīng)完成后,將混合物冷卻至室溫,用乙酸乙酯(2×25 mL)萃取。分離有機(jī)層,用飽和鹽水溶液洗滌,隨后用無(wú)水Na2SO4干燥。減壓濃縮除去溶劑,所得固體用乙醇重結(jié)晶,得到白色針狀晶體,收率71%,熔點(diǎn)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)。元素分析計(jì)算值(C13H13NO): C, 78.36; H, 6.58; N, 7.03%。實(shí)測(cè)值: C, 78.29; H, 6.49; N, 6.92%。

參考文獻(xiàn):

[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

常見(jiàn)問(wèn)題列表

用途

1,2,3,4-四氫-9-甲基-4H-咔唑酮(昂丹司瓊EP雜質(zhì)C)用于制備5-HT3調(diào)節(jié)劑,治療和預(yù)防介導(dǎo)疾病。本品是昂丹司瓊的雜質(zhì)。

1,2,3,9-四氫-9-甲基咔唑酮價(jià)格(試劑級(jí))
報(bào)價(jià)日期產(chǎn)品編號(hào)產(chǎn)品名稱(chēng)CAS號(hào)包裝價(jià)格
2025/05/22T29421,2,3,4-四氫-9-甲基咔唑-4-酮
1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
27387-31-15g80元
2025/05/22T29421,2,3,4-四氫-9-甲基咔唑-4-酮
1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
27387-31-125g310元
2025/05/22XW0227387311041,2,3,4-四氫-9-甲基-4H-咔唑酮27387-31-1100G455元
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