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62459-02-3

62459-02-3 Structure

62459-02-3 Structure
IdentificationBack Directory
[Name]

7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE
[CAS]

62459-02-3
[Synonyms]

3H)-dione
7-benzyl-1H,3H,5H,6H,8H-pyrido[3,4-d]pyrimidine-2,4-dione
7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyriMidine-2,4-diol
7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
7-benzyl-1,5,6,8-tetrahydropyrido[4,3-e]pyrimidine-2,4-dione
7-benzyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyriMidine-2,4-dione
7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE
7-(phenylmethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
7-BENZYL-1,5,6,8-TETRAHYDROPYRIDO[4,3-E]PYRIMIDINE-2,4-DIONE 62459-02-3
rido[3,4-d]pyriMidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-7-(phenylMethyl)-
Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-7-(phenylmethyl)-
7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE ISO 9001:2015 REACH
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C14H15N3O2
[MDL Number]

MFCD09839775
[MOL File]

62459-02-3.mol
[Molecular Weight]

257.29
Chemical PropertiesBack Directory
[Melting point ]

232 °C(Solv: acetone (67-64-1))
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

10.00±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
[InChIKey]

DYNBNPAECUWPPS-UHFFFAOYSA-N
[SMILES]

C1(=O)NC(=O)C2CCN(CC3=CC=CC=C3)CC=2N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate

39514-19-7

Urea

57-13-6

7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE

62459-02-3

To a solution of ethyl 1-benzyl-3-oxa-4-piperidinecarboxylate (12.0 g, 40.4 mmol) in methanol (200 ml) at 0 °C was added sequentially urea (5.1 g, 84.8 mmol) and sodium methanolate (12.3 g, 228 mmol). The reaction mixture was stirred at 60°C for 96 hours under nitrogen protection. After completion of the reaction, the mixture was cooled to room temperature and concentrated under reduced pressure to remove the solvent. The residue was purified by silica gel column chromatography (eluent: dichloromethane/methanol=10:1, v/v) to afford 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (6.3 g, 61% yield). lRMS (M+H+) m/z: calculated value 258.29; measured value 258.30.

[References]

[1] Patent: WO2014/15291, 2014, A1. Location in patent: Page/Page column 174; 175
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