7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
- Product Name
- 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
- CAS No.
- 62458-96-2
- Chemical Name
- 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
- Synonyms
- 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyriMidin-4-ol;7-benzyl-5;4-d]pyriMidin-4(4aH)-one;7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H);7-benzyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyriMidin-4-one;7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one;5,6,7,8-Tetrahydro-7-(phenylmethyl)pyrido[3,4-d]pyrimidin-4(;7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one;7-Benzyl-5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one;7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE HCL
- CBNumber
- CB6355377
- Molecular Formula
- C14H15N3O
- Formula Weight
- 241.29
- MOL File
- 62458-96-2.mol
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE Property
- Melting point:
- 198 °C
- Boiling point:
- 406.5±55.0 °C(Predicted)
- Density
- 1.27
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.77±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)
- InChIKey
- NBOPLUXBZUJFHI-UHFFFAOYSA-N
- SMILES
- C1NC(=O)C2CCN(CC3=CC=CC=C3)CC=2N=1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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
- W7448
- Product name
- 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
- Packaging
- 250mg
- Price
- $70
- Updated
- 2021/12/16
- Product number
- FB150834
- Product name
- 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-oneHydrochloride
- Packaging
- 100mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- FB150834
- Product name
- 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-oneHydrochloride
- Packaging
- 250mg
- Price
- $150
- Updated
- 2021/12/16
- Product number
- FB150834
- Product name
- 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-oneHydrochloride
- Packaging
- 500mg
- Price
- $260
- Updated
- 2021/12/16
- Product number
- FB150834
- Product name
- 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-oneHydrochloride
- Packaging
- 1g
- Price
- $453
- Updated
- 2021/12/16
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE Chemical Properties,Usage,Production
Synthesis
3473-63-0
52763-21-0
62458-96-2
To a mixed solution of sodium methanolate (25 wt% methanol solution, 67.6 mL, 296 mmol) and methanol (70 mL) was sequentially added formamidine acetate (11.00 g, 106 mmol) and ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride (25.16 g, 84 mmol) at 25 °C. The reaction mixture was stirred continuously at 25°C for 20 hours. Upon completion of the reaction, the mixture was cooled to 0 °C, water (90 mL) was added followed by slow dropwise addition of acetic acid (6.05 mL, 106 mmol) and stirring was continued at 25 °C for 3 hours. Most of the methanol was removed by distillation under reduced pressure and the reaction mixture was concentrated. The resulting suspension was filtered and the solid product was collected, washed with water and dried under vacuum to afford 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one (16.10 g, 79% yield) as a white solid.LC/MS analysis showed: m/z 242.06 ([M+H]+), retention time 0.598 min (Method 12). .1H-NMR (500 MHz, CDCl3) δ 12.61 (broad single peak, 1H), 7.99 (single peak, 1H), 7.38-7.26 (multiple peaks, 5H), 3.73 (multiple peaks, 2H), 3.50 (multiple peaks, 2H), 2.74 (multiple peaks, 2H), 2.66 (multiple peaks, 2H).
References
[1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 1, p. 160 - 167
[2] Patent: WO2009/158396, 2009, A1. Location in patent: Page/Page column 67
[3] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 18, p. 5019 - 5024
[4] Patent: US2008/275052, 2008, A1. Location in patent: Page/Page column 45
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE Preparation Products And Raw materials
Raw materials
Preparation Products
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE Suppliers
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- info@activate-scientific.com
- Country
- Germany
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View Lastest Price from 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE manufacturers
- Product
- 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE 62458-96-2
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.0% min
- Supply Ability
- 100 tons min
- Release date
- 2021-05-12
- Product
- 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE 62458-96-2
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- ≥98%
- Supply Ability
- 200KG
- Release date
- 2019-08-30