6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE
Application- Product Name
- 6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE
- CAS No.
- 135481-57-1
- Chemical Name
- 6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE
- Synonyms
- NSC 525977;6-Benzyl-5,6,7,8-tetrahyd...;6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H);6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-D...;6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE;6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidin-2,4(1H,3H)-dione;6-benzyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyriMidine-2,4-dione;6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione;6-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione 95%
- CBNumber
- CB0234065
- Molecular Formula
- C14H15N3O2
- Formula Weight
- 257.29
- MOL File
- 135481-57-1.mol
6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE Property
- Density
- 1.33
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.04±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C14H15N3O2/c18-13-11-9-17(8-10-4-2-1-3-5-10)7-6-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
- InChIKey
- CTFWHSOMLHCMRJ-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(=O)C2CN(CC3=CC=CC=C3)CCC=2N1
Safety
- HS Code
- 2933399990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B592605
- Product name
- 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- Y7455
- Product name
- 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
- Packaging
- 5g
- Price
- $437
- Updated
- 2021/12/16
- Product number
- Y7455
- Product name
- 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
- Packaging
- 10g
- Price
- $760
- Updated
- 2021/12/16
- Product number
- 070044
- Product name
- 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
- Purity
- 95+%
- Packaging
- 1g
- Price
- $794
- Updated
- 2021/12/16
- Product number
- 4H18-1-52
- Product name
- 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
- Packaging
- 5G
- Price
- $896
- Updated
- 2021/12/16
6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE Chemical Properties,Usage,Production
Application
6-Benzyl-5,6,7,8-tetrahydro-1H-piperidino[4,3-D]2,4-diamyrimidinone can be used as an organic synthesis intermediate and a pharmaceutical intermediate, mainly in laboratory research and development and chemical production processes.
Synthesis
41276-30-6
57-13-6
135481-57-1
GENERAL STEPS: Ethyl 1-benzyl-4-piperidone-3-carboxylate (10.0 g, 33.5 mmol) was dissolved in anhydrous ethanol (150.0 mL), followed by the sequential addition of urea (10.0 g, 167.0 mmol) and sodium methanol (22.7 g, 118.0 mmol). The reaction mixture was stirred under heated reflux conditions for 24 hours. Upon completion of the reaction, the mixture was cooled to 0 °C and the precipitated solid was collected by filtration. The resulting solid was suspended in deionized water, and the pH was adjusted to 6.0 by slowly adding 6.0 mol/L hydrochloric acid solution. After continued stirring at room temperature for 1 h, the crystals were separated by filtration and dried under vacuum to afford 6-phenylmethyl-5,6,7,8-tetrahydro-1H-piperidino[4,3-D]2,4-dihydropyrimidinone (6.5 g, 75% yield), which was ready to use in the subsequent reaction without further purification. subsequent reaction without further purification. Thin-layer chromatography (TLC) analysis: Rf = 0.1 (Expanding agent: ethyl acetate/methanol=5:1); Melting point: 293 °C; 1H NMR (300 MHz, CDCl3, δ ppm): 2.43-2.45 (m, 2H), 2.51-2.52 (m, 2H), 3.01 (s, 2H), 3.53 (s, 2H), 7.23- 7.41 (m, 5H). 7.41 (m, 5H), 10.21 (s, 1H), 11.01 (s, 1H).
References
[1] European Journal of Medicinal Chemistry, 2014, vol. 79, p. 399 - 412
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 23, p. 10498 - 10519
[3] Patent: EP1537879, 2005, A1. Location in patent: Page/Page column 61
[4] Patent: EP1547616, 2005, A1. Location in patent: Page/Page column 65
6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE Preparation Products And Raw materials
Raw materials
Preparation Products
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