16502-01-5
中文名稱
1,2,3,4-四氫-9H-吡啶[3,4-B]并吲哚,98%
英文名稱
1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE
CAS
16502-01-5
分子式
C11H12N2
MDL 編號
MFCD00004954
分子量
172.23
MOL 文件
16502-01-5.mol
更新日期
2023/12/27 09:22:14
16502-01-5 結構式
基本信息
中文別名
1,2,3,4-四氫-9H-吡啶[3,4-B]并吲哚,98% 英文別名
1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE1,2,3,4-TETRAHYDRO-B-CARBOLINE
1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE
AKOS JY2083257
NORELEAGNINE
TETRAHYDRO-BETA-CARBOLINE
TETRAHYDRONORHARMAN
TETRAHYDRONORHARMANE
THBC
TRYPTOLINE
1,2,3,4-Tetrahydro-β-carboline
1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-
2,3,4,9-Tetrahydro-1H-β-carboline
Norharman,1,2,3,4-tetrahydro-
Tetrahydro-β-carboline
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE
NORELEAGNINE 98%
1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, Noreleagnine, Tetrahydronorharman, THBC, Tryptoline
1,2,3,4-Tetrahydro-β-carboline, 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole, Tetrahydronorharmane, Tryptoline
所屬類別
醫(yī)藥中間體：吡啶類化合物物理化學性質
熔點206-208 °C(lit.)
沸點351.6±32.0 °C(Predicted)
密度1.189±0.06 g/cm3(Predicted)
儲存條件Keep in dark place,Sealed in dry,Room Temperature
溶解度10mg/mL溶于1N氫氧化銨的甲醇、DMSO中
酸度系數(pKa)17.78±0.20(Predicted)
形態(tài)粉末或晶體
顏色白色至微黃色
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChIKeyCFTOTSJVQRFXOF-UHFFFAOYSA-N
SMILESN1C2=C(C=CC=C2)C2CCNCC1=2
LogP1.816 (est)
制備方法
方法1
50-00-0
61-54-1
16502-01-5
將1.5克色胺溶于乙酸/甲醇混合溶劑（AcOH/MeOH = 10:1, v/v）中，緩慢加入345毫克多聚甲醛。反應混合物在80℃下攪拌反應30分鐘。反應完成后，通過TLC監(jiān)測反應進度。將反應體系緩慢倒入稀氨水溶液（NH4OH/H2O = 1:1, v/v, 80ml）中，調節(jié)pH至10。用二氯甲烷/甲醇混合溶劑（CH2Cl2/MeOH = 10:1, v/v）萃取三次，合并有機相。有機相用無水硫酸鈉干燥，過濾后濃縮。粗產物通過硅膠柱層析純化，洗脫劑為二氯甲烷/甲醇（CH2Cl2/MeOH = 10:1, v/v），得到1.6g中間體A，收率為98%。產物為淡黃色固體，室溫下穩(wěn)定。
參考文獻：
[1] Patent: CN106883230, 2017, A. Location in patent: Paragraph 0012
[2] Patent: CN105669666, 2016, A. Location in patent: Paragraph 0036; 0047
[3] Medicinal Chemistry Research, 2017, vol. 26, # 12, p. 3173 - 3187
[4] MedChemComm, 2017, vol. 8, # 9, p. 1824 - 1834
[5] Chemistry - A European Journal, 2018, vol. 24, # 9, p. 2065 - 2069
1,2,3,4-四氫-9H-吡啶[3,4-B]并吲哚價格(試劑級)
| 報價日期 | 產品編號 | 產品名稱 | CAS號 | 包裝 | 價格 |
| 2025/05/22 | 42758 | 1，2，3，4-四氫-9H-咔啉[3，4-B]吲哚 5GR Tetrahydro-beta-carboline, 98%, Thermo Scientific Chemicals | 16502-01-5 | 1g | 714元 |
| 2025/05/22 | 42758 | 1，2，3，4-四氫-9H-咔啉[3，4-B]吲哚 5GR Tetrahydro-beta-carboline, 98%, Thermo Scientific Chemicals | 16502-01-5 | 5g | 2083元 |
| 2025/05/22 | HY-20696 | 1,2,3,4-四氫-9H-吡啶[3,4-B]并吲哚 Tetrahydro-β-carboline | 16502-01-5 | 1 g | 300元 |