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HRID1181815

反应详情

EQUATION

反应方程式

HRID 1181815 的结构方程式

REACTANTS

反应物

5
结构：Cl.NO
HCID443297

未命名化合物

结构：O=Cc1c[nH]c2ccc(Cl)cc12
HCID2795374

5-Chloroindole-3-carboxaldehyde

C9H6ClNO

结构：CC(=O)c1cc(C=O)n(C)c1
HCID12676268

4-Acetyl-1-methyl-1H-pyrrole-2-carbaldehyde

C8H9NO2

结构：CC(C)Cn1c(NN)cc(=O)n(C)c1=O
HCID19356084

未命名化合物

结构：CC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1
HCID58981140

3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

C26H27ClN6O3

PRODUCTS

生成物

1
结构：C/C(=N\O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1
HCID58981128

未命名化合物

PROCEDURE

实验过程

This compound was made in one pot following the procedure described above, starting with 6-hydrazino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione, and condensing first 5-chloro-1H-indole-3-carbaldehyde, followed by 4-acetyl-1-methyl-1H-pyrrole-2-carbaldehyde. To the crude 3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione was treated with hydroxylamine hydrochloride and heated at 80° C. in N,N′Dimethylacetamide for 18 h. The crude reaction product was purified by semi-prep RPHPLC eluting with water/acetonitrile/trifluoroacetic acid mixtures. 522 (M+H).

WORKUP

后处理

  1. customThe crude reaction product
  2. customwas purified by semi-prep RPHPLC
  3. washeluting with water/acetonitrile/trifluoroacetic acid mixtures