| Identification | Back Directory | [Name]
tert-butyl 4-oxo-3,4,5,6-tetrahydropyrido[3,4-d]pyriMidine-7(8H)-carboxylate | [CAS]
1142188-60-0 | [Synonyms]
Seco-Duocarmycin TM
UHNCQJLEINZUNT-UHFFFAOYSA-N
7-Boc-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
tert-butyl 4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
TERT-BUTYL 4-HYDROXY-5,6-DIHYDROPYRIDO[3,4-D]PYRIMIDINE-7(8H)-CARBOXYLATE
tert-butyl 4-oxo-3,4,5,6-tetrahydropyrido[3,4-d]pyriMidine-7(8H)-carboxylate
tert-Butyl 4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
4-Hydroxy-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
2-Methyl-2-propanyl 4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxylate
Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester | [EINECS(EC#)]
302-502-1 | [Molecular Formula]
C12H17N3O3 | [MDL Number]
MFCD11869803 | [MOL File]
1142188-60-0.mol | [Molecular Weight]
251.28 |
| Chemical Properties | Back Directory | [Boiling point ]
389.1±52.0 °C(Predicted) | [density ]
1.30±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
1.10±0.20(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-8-9(6-15)13-7-14-10(8)16/h7H,4-6H2,1-3H3,(H,13,14,16) | [InChIKey]
UHNCQJLEINZUNT-UHFFFAOYSA-N | [SMILES]
C1NC(=O)C2CCN(C(OC(C)(C)C)=O)CC=2N=1 |
| Hazard Information | Back Directory | [Synthesis]
Preparation of Compound 12F: 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one (Compound 12E, 2.5 g, 10.4 mmol), 10% Pd/C (0.5 g) and di-tert-butyl dicarbonate (2.7 g, 12.4 mmol) were dissolved in methanol (40 mL). The reaction mixture was stirred overnight under hydrogen atmosphere (0.5 Mpa pressure). The reaction process was monitored by thin layer chromatography (TLC, unfolding agent ratio dichloromethane/methanol = 10:1). After completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated to afford purified tert-butyl 4-hydroxy-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate (Compound 12F, 2.6 g, 100% yield) as a yellow solid. | [References]
[1] Patent: US2016/75708, 2016, A1. Location in patent: Paragraph 0086; 0091
[2] Patent: KR2015/139962, 2015, A. Location in patent: Paragraph 0118-0119; 0129-0130 |
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