| Identification | Back Directory | [Name]
2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile | [CAS]
865758-96-9 | [Synonyms]
Alogliptin-6
2-((6-chloro-3-methyl
alogliptina impurity 2
alogliptin impurities9
Alogliptin 6-Chloro Imp
alogliptin impurities156
Alogliptin 6-Chloro Impurity
Alogliptin Related Compound 28
Alogliptin Benzoate interMediate E
2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)
2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2H)-pyriMidinyl)
Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(...
6-chloro-1-(2-isocyanobenzyl)-3-MethylpyriMidine-2,4(1H,3H)-dione
2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitri
2-(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile
2-((6-Chloro-3,4-dihydro-3-methyl-2,4-dioxopyrimidin-1(2H)-yl)methyl)benzonitrile
2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile
2-((6-Chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile
Benzonitrile,2-[(6-chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2H)-pyriMidinyl)Methyl]-
1:2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile 865758-96-9
2-[(6-CHLORO-3,4-DIHYDRO-3-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)METHYL]BENZONITRILE CAS: 865758-96-9
TIANFUCHEM--865758-96-9--2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile factory price | [EINECS(EC#)]
695-742-0 | [Molecular Formula]
C13H10ClN3O2 | [MDL Number]
MFCD11558902 | [MOL File]
865758-96-9.mol | [Molecular Weight]
275.69 |
| Chemical Properties | Back Directory | [Melting point ]
162-164°C | [Boiling point ]
418.0±55.0 °C(Predicted) | [density ]
1.44 | [storage temp. ]
2-8°C | [solubility ]
DMSO (Soluble, Sonicated), Methanol (Slightly, Heated, Sonicated) | [form ]
Solid | [pka]
-3.65±0.40(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3 | [InChIKey]
BVUJISIVAHYNLI-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=CC=C1CN1C(=O)N(C)C(=O)C=C1Cl |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
Alogliptin (A575425) intermediate. | [Synthesis]
Under stirring conditions, 20.8 g of dichloromethane, 3.21 g of 6-chloro-3-methyluracil, 4.51 g of 2-cyanobenzyl bromide and 5.16 g of DIPEA were sequentially added to the reaction flask.The reaction system was warmed up to refluxing temperature (40-45 °C) and the progress of the reaction was monitored by HPLC until the complete disappearance of 3-methyl-6-chlorouracil. Upon completion of the reaction, the reaction system was cooled to 20-25 °C and the dichloromethane was removed by distillation under reduced pressure. Water was added to the residue, stirred for 1 hour and filtered. The filter cake was washed with water, followed by ethanol and stirred at 20-25 °C for 1 hour. After filtration again, the filter cake was washed with ethanol and dried under reduced pressure at 60-70 °C to afford 5.28 g of white crystalline solid, i.e., the target product 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile (hereinafter referred to as the intermediate), in 95.8% yield. | [References]
[1] Organic Letters, 2018, vol. 20, # 2, p. 473 - 476
[2] Patent: CN107954978, 2018, A. Location in patent: Paragraph 0042; 0043; 0051
[3] Patent: CN103819450, 2016, B. Location in patent: Paragraph 0034; 0038; 0039
[4] Patent: CN105367546, 2016, A. Location in patent: Paragraph 0013
[5] Patent: CN107556249, 2018, A. Location in patent: Paragraph 027; 0028 |
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