ChemicalBook > CAS DataBase List > 1-Benzyl-1,4-diazepan-5-one

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
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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
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Safety

HS Code 
2914290090
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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.

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N-Bromosuccinimide Price

TRC
Product number
B251293
Product name
1-Benzyl-1,4-diazepan-5-one
Packaging
500mg
Price
$130
Updated
2021/12/16
Matrix Scientific
Product number
009411
Product name
1-Benzyl-1,4-diazepan-5-one
Packaging
5g
Price
$142
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB140545
Product name
1-Benzyl-1,4-diazepan-5-one
Packaging
5G
Price
$160
Updated
2021/12/16
AK Scientific
Product number
W6918
Product name
1-Benzyl-1,4-diazepan-5-one
Packaging
5g
Price
$182
Updated
2021/12/16
Apolloscientific
Product number
OR7666
Product name
1-Benzylhomopiperazin-5-one
Packaging
1g
Price
$37
Updated
2021/12/16
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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

Career Henan Chemical Co
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
Career Henan Chemical Co
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

55186-89-5, 1-Benzyl-1,4-diazepan-5-oneRelated Search:

Buspirone Benzyl alcohol DBU 17alpha-Ethynyl-19-nortestosterone 17-heptanoate 4-Heptanone 6-Methyl-5-hepten-2-one Cyclohexanone Phenylacetone Diazapam Benzyl CYCLOHEPTANE 1-Benzyl-1,4-diazepan-5-one 1-(3-METHOXYBENZYL)-4-(PYRIDIN-2-YLMETHYL)-1,4-DIAZEPAN-5-ONE 4-[2-(DIFLUOROMETHOXY)BENZYL]-1-[4-(METHYLSULFONYL)BENZYL]-1,4-DIAZEPAN-5-ONE 3-((4-[2-(4-FLUOROPHENOXY)ETHYL]-5-OXO-1,4-DIAZEPAN-1-YL)METHYL)BENZONITRILE 4-[2-(DIFLUOROMETHOXY)BENZYL]-1-(3-METHOXYBENZYL)-1,4-DIAZEPAN-5-ONE 4-(3,5-DIMETHOXYBENZYL)-1-(3-METHOXYBENZYL)-1,4-DIAZEPAN-5-ONE 4-(BIPHENYL-2-YLMETHYL)-1-(3-METHOXYBENZYL)-1,4-DIAZEPAN-5-ONE

  • 1-Benzyl-2,3,6,7-tetrahydro-(1H)-1,4-diazepin-5(4H)-one
  • 1-Benzyl-1,4-diazepan-5-one
  • 1-(phenylmethyl)-1,4-diazepan-5-one
  • 1-Benzyl-1,4-diazepin-5-one
  • 1-Benzyl-5-oxo-1,4-diazepane
  • NSC45105
  • 1-Benzylhomopiperazin-5-one
  • 5H-1,4-Diazepin-5-one, hexahydro-1-(phenylmethyl)-
  • 55186-89-5
  • C12H13N2O
  • pharmacetical
  • Ring Systems