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HRID1181813

反应详情

EQUATION

反应方程式

HRID 1181813 的结构方程式

REACTANTS

反应物

5
结构：C[Si](C)(C)N=C=N[Si](C)(C)C
HCID70473

Silanamine, N,N'-methanetetraylbis[1,1,1-trimethyl-

C7H18N2Si2

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：CC(=NC#N)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1
HCID58980958

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

2
结构：[Cl][Ti]([Cl])([Cl])[Cl]
催化剂HCID24193

Titanium tetrachloride

Cl4Ti

结构：ClCCl
溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

This compound was made in two steps 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. The isolated 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 a cold solution of bis(trimethylsilyl)carbodiimide and TiCl4 at 0° C. in anhydrous dichloromethane. The mixture was stirred at room temperature for 4 h. The crude reaction product was purified by semi-prep RPHPLC eluting with water/acetonitrile/trifluoroacetic acid mixtures. 531.2 (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