| Identification | Back Directory | [Name]
8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione | [CAS]
853029-57-9 | [Synonyms]
Linaint-H
Linagliptin-1
Linagliptin Impurity 94
Linagliptin Impurity 32
Linagliptinmothernucleus
Iinagliptin Intermediate3
Linagliptin interMediate F
Linagliptin IntermediateLinagliptin Intermediate
1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl...
8-bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)
8-bromo-7-(2-butyne)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-xanthine
1-[(4-Methylquinazolin-2-yl)Methyl]-3-Methyl-7-(2-butin-1-yl)-8-broMoxanthine
1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine
8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
8-BroMo-7-but-2-ynyl-3-Methyl-1-(4-Methyquinazolin-2-ylMethyl)-3,7-dihydro-purine-2,6-dione
8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
8-broMo-7-(but-2-ynyl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-1H-purine-2,6(3H,7H)-dione
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquin-azolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-d
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquin-azolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dion
8-BroMo-7-(but-2-yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-1H-purine-2,6(3H,7H)-dione
8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
1H-Purine-2,6-dione,8-broMo-7-(2-butynyl)-3,7-dihydro-3-Methyl-1-[(4-Methyl-2-quinazolinyl)Methyl]-
8-BroMo-7-(2-butyn-a-yl)-3,7-dihydro-3-Methyl-1-[(4-Methyl-2-quinazolinyl)Methyl]-1H-purine-2,6-dione
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
8-bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
8-BROMO-7-BUT-2-YNYL-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE 853029-57-9
8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione ISO 9001：2015 REACH
(2-(chloromethyl)-4-methylquinazoline)，8-Bromo-7-but-2-ynyl-3-methyl-1-(4- methyl-quinazolin-2-ylmethyl)-3,7- dihydro-purine-2,6-dione | [EINECS(EC#)]
922-028-0 | [Molecular Formula]
C20H17BrN6O2 | [MDL Number]
MFCD18642578 | [MOL File]
853029-57-9.mol | [Molecular Weight]
453.29 |
| Chemical Properties | Back Directory | [Melting point ]
>255°C (dec.) | [Boiling point ]
602.9±65.0 °C(Predicted) | [density ]
1.55 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [solubility ]
DMSO (Slightly, Heated, Sonicated), Methanol (Very Slightly, Heated, Sonicated) | [form ]
Solid | [pka]
2.34±0.50(Predicted) | [color ]
White to Pale Yellow | [InChI]
InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3 | [InChIKey]
RCZJXCXNYGHNSR-UHFFFAOYSA-N | [SMILES]
N1(CC#CC)C2=C(N(C)C(=O)N(CC3=NC(C)=C4C(=N3)C=CC=C4)C2=O)N=C1Br |
| Hazard Information | Back Directory | [Uses]
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione is an intermediate used to prepare selective inhibitors of dipeptidyl peptidase 4 (DPP4) for potential use in the treatment of type 2 diabetes. | [Synthesis]
General procedure: 3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine (Compound VII, 1.34 g, 4.5 mmol), potassium carbonate (1.42 g, 10.3 mmol), 2-chloromethyl-4-methylquinazoline (Compound III, 0.87 g, 4.5 mmol), tributylmethylammonium chloride (phase transfer catalyst, 0.53 g , 2 mmol) and 2-methyltetrahydrofuran (50 mL) were added sequentially to the reaction flask. The reaction mixture was heated to reflux and maintained for 3 to 5 hours. Upon completion of the reaction, it was cooled to room temperature and the reaction was quenched by the addition of water (100 mL). The reaction mixture was filtered, the filter cake was collected and dried at 45 °C to afford 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine (Compound VIII).
Yield: 1.78 g (87.1% yield).
Mass spectrum (MS): [M + H]+ = 453/455.
1H-NMR (400 MHz, DMSO-d6): δ 1.79 (t, J = 2.3 Hz, 3H), 2.89 (s, 3H), 3.44 (s, 3H), 5.11 (q, J = 2.2 Hz, 2H), 5.35 (s, 2H), 7.67 (m, 1H), 7.80 (d, J = 8.3 Hz, 1H), 7.75 ( m, 1H), 8.24 (d, J = 8.1 Hz, 1H). | [References]
[1] Patent: WO2005/51950, 2005, A1. Location in patent: Page/Page column 18
[2] Patent: US2015/274728, 2015, A1. Location in patent: Paragraph 0070-0074
[3] Patent: WO2015/87240, 2015, A1. Location in patent: Page/Page column 12
[4] Patent: , 2016, . Location in patent: Paragraph 0045; 0046; 0047; 0048
[5] Patent: CN105936634, 2016, A. Location in patent: Paragraph 0064; 0065; 0066; 0067 |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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T&W GROUP
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021-61551611 13296011611 |
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www.trustwe.com/ |
| Company Name: |
Acesys Pharmatech
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18860950986 |
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www.chemicalbook.com/ShowSupplierProductsList15849/0_EN.htm |
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