1-Benzyl-1,4-diazepan-5-one
- Product Name
- 1-Benzyl-1,4-diazepan-5-one
- CAS No.
- 55186-89-5
- Chemical Name
- 1-Benzyl-1,4-diazepan-5-one
- Synonyms
- NSC45105;1-Benzyl-1,4-diazepan-5-one;1-Benzyl-1,4-diazepin-5-one;1-Benzylhomopiperazin-5-one;1-Benzyl-5-oxo-1,4-diazepane;1-(phenylmethyl)-1,4-diazepan-5-one;5H-1,4-Diazepin-5-one, hexahydro-1-(phenylmethyl)-;1-Benzyl-2,3,6,7-tetrahydro-(1H)-1,4-diazepin-5(4H)-one
- CBNumber
- CB51096418
- Molecular Formula
- C12H16N2O
- Formula Weight
- 204.27
- MOL File
- 55186-89-5.mol
1-Benzyl-1,4-diazepan-5-one Property
- Melting point:
- 115-117°
- Boiling point:
- 379.8±35.0 °C(Predicted)
- Density
- 1.097±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 16.00±0.20(Predicted)
- Appearance
- White to off-white Solid
Safety
- HS Code
- 2914290090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
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
- B251293
- Product name
- 1-Benzyl-1,4-diazepan-5-one
- Packaging
- 500mg
- Price
- $130
- Updated
- 2021/12/16
- Product number
- OR7666
- Product name
- 1-Benzylhomopiperazin-5-one
- Packaging
- 1g
- Price
- $37
- Updated
- 2021/12/16
- Product number
- 009411
- Product name
- 1-Benzyl-1,4-diazepan-5-one
- Packaging
- 1g
- Price
- $47
- Updated
- 2021/12/16
- Product number
- 4H48-1-W9
- Product name
- 1-Benzyl-1,4-diazepan-5-one
- Packaging
- 1g
- Price
- $50
- Updated
- 2021/12/16
- Product number
- FB140545
- Product name
- 1-Benzyl-1,4-diazepan-5-one
- Packaging
- 2g
- Price
- $80
- Updated
- 2021/12/16
1-Benzyl-1,4-diazepan-5-one Chemical Properties,Usage,Production
Uses
1-Benzyl-1,4-diazepan-5-one is a diazepane intermediate that can be used as an inhibitor of human nitric oxide synthesis.
Synthesis
3612-20-2
55186-89-5
General procedure for the synthesis of 1-benzyl-1,4-diazepan-5-one from N-benzylpiperidone: [Ref. Example 119]; 1-benzylhexahydro-1H-1,4-diazepan-5-one; [] Concentrated sulfuric acid (25 mL) was slowly added dropwise to a solution of acetic acid (50 mL) of 1-benzyl-4-piperidone (10.14 g) at room temperature followed by a batch at 0 °C Sodium azide (3.880 g) was added. The reaction was carried out at 0 °C for 2 h, followed by warming to 5 °C and stirring for 25 h. The reaction was completed with the addition of sodium hydroxide (3.880 g). Upon completion of the reaction, the reaction mixture was adjusted to alkaline with aqueous sodium hydroxide solution followed by liquid-liquid partition extraction with chloroform. The aqueous layer was further extracted with chloroform. All organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate and filtered. The solvent was removed by concentration under reduced pressure and the residue was purified by silica gel column chromatography (eluent: chloroform-methanol gradient) to afford 1-benzyl-1,4-diazepan-5-one as a white solid (5.081 g, 47% yield).1H-NMR (400 MHz, CDCl3) δ: 2.50-2.70 (6H, m), 3.20-3.35 (2H, m) , 3.60 (2H, s), 6.07 (1H, br), 7.20-7.40 (5H, m).MS (ESI) m/z: 205 (M + H)+.
References
[1] Patent: EP1591443, 2005, A1. Location in patent: Page/Page column 72
[2] Tetrahedron Letters, 1991, vol. 32, # 22, p. 2469 - 2470
[3] Patent: WO2012/101654, 2012, A2
[4] Patent: WO2014/16849, 2014, A2
1-Benzyl-1,4-diazepan-5-one Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-Benzyl-1,4-diazepan-5-one manufacturers
- Product
- 1-Benzyl-1,4-diazepan-5-one 55186-89-5
- Price
- US $0.01/KG
- Min. Order
- 1KG
- Purity
- 98%; 99%
- Supply Ability
- 500g； 1kg; 25kg
- Release date
- 2020-01-10
- Product
- 1-Benzyl-1,4-diazepan-5-one 55186-89-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- Customized
- Release date
- 2019-12-18