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Cas Database |
| Name |
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one |
EINECS | 249-227-9 |
| CAS No. | 28797-48-0 | Density | 1.415 g/cm3 |
| PSA | 67.75000 | LogP | 2.31900 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H10ClN3O2 | Boiling Point | 481.1 °C at 760 mmHg |
| Molecular Weight | 287.705 | Flash Point | 244.7 °C |
| Transport Information | N/A | Appearance | White or off-white crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5,11-dihydro-11-chloroacetyl-6h-pyrido[2,3-b][1,4]benzodiazepine-6-one;11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5,11-DIHYDRO-11-CHLOROACETYL-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPINE-6-ONE[INTERMEDIATES OF PIRENZEPINE];5,11-Dihydro-11-Chloroacetyl-6H-Pyrido[2,3-B][1,4]Benzodiazepin-6-One;5,11-DIHYDRO-11-CHLOROACETYL-6H-PYRIDOP2,3-B][1,4]BENZODIAZEPINE-6-ONE;11-(CHLOROACETYL)-5,11-DIHYDRO-6H-PYRIDO[3,2-C][2]BENZAZEPIN-6-ONE |
Article Data | 8 |
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one Synthetic route
- 79-04-9
chloroacetyl chloride
- 885-70-1
5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| With triethylamine In 1,4-dioxane for 8h; Heating; | 70% |
| With triethylamine In 1,4-dioxane for 8h; Heating; | 53% |
| With triethylamine In 1,4-dioxane for 5h; Heating; |
- 552-16-9
ortho-nitrobenzoic acid
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: oxalyl chloride; DMF / tetrahydrofuran / 1 h / Heating 2: 5.55 g / pyridine / tetrahydrofuran / 2 h / 20 °C 3: 86 percent / aq. HCl; SnCl2 / 0.25 h / 100 °C 4: 80 percent / 0.08 h / 205 °C 5: 70 percent / Et3N / dioxane / 8 h / Heating View Scheme | |
| Multi-step reaction with 5 steps 1: thionyl chloride / toluene / 2 h / Reflux 2: triethylamine / dichloromethane / 1 h / 15 - 30 °C 3: acetic acid; iron / ethanol / 3 h / 60 - 70 °C 4: potassium iodide / toluene / 3 h / Reflux 5: triethylamine / toluene / 2 h / 15 - 25 °C View Scheme |
- 956-30-9
2-amino-N-(2-chloropyridin-3-yl)benzamide
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / 0.08 h / 205 °C 2: 70 percent / Et3N / dioxane / 8 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 0.08 h / 210 °C 2: 53 percent / triethylamine / dioxane / 8 h / Heating View Scheme |
- 1028-86-0
N-(2-chloro-pyridin-3-yl)-2-nitro-benzamide
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 86 percent / aq. HCl; SnCl2 / 0.25 h / 100 °C 2: 80 percent / 0.08 h / 205 °C 3: 70 percent / Et3N / dioxane / 8 h / Heating View Scheme | |
| Multi-step reaction with 3 steps 1: acetic acid; iron / ethanol / 3 h / 60 - 70 °C 2: potassium iodide / toluene / 3 h / Reflux 3: triethylamine / toluene / 2 h / 15 - 25 °C View Scheme |
- 610-14-0
2-nitrobenzyl chloride
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 5.55 g / pyridine / tetrahydrofuran / 2 h / 20 °C 2: 86 percent / aq. HCl; SnCl2 / 0.25 h / 100 °C 3: 80 percent / 0.08 h / 205 °C 4: 70 percent / Et3N / dioxane / 8 h / Heating View Scheme | |
| Multi-step reaction with 4 steps 1: triethylamine / dichloromethane / 1 h / 15 - 30 °C 2: acetic acid; iron / ethanol / 3 h / 60 - 70 °C 3: potassium iodide / toluene / 3 h / Reflux 4: triethylamine / toluene / 2 h / 15 - 25 °C View Scheme |
- 1892-22-4, 4077-38-7, 34294-79-6, 88763-76-2
3-aminopiperidin-2-one
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: acetonitrile / 3 h / Heating 2: 28 percent / acetic acid / 11 h / Heating 3: 5percentPd on active carbon / pyridine / 17 h / Heating 4: 53 percent / triethylamine / dioxane / 8 h / Heating View Scheme |
- 118-48-9
isatoic anhydride
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: acetonitrile / 3 h / Heating 2: 28 percent / acetic acid / 11 h / Heating 3: 5percentPd on active carbon / pyridine / 17 h / Heating 4: 53 percent / triethylamine / dioxane / 8 h / Heating View Scheme |
- 84772-31-6
2,3,4,4a,5,11-hexahydro-6H-pyrido<2,3-b><1,4>benzodiazepin-6-one
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 5percentPd on active carbon / pyridine / 17 h / Heating 2: 53 percent / triethylamine / dioxane / 8 h / Heating View Scheme |
- 84772-30-5
3-(2'-aminobenzoyl)aminopiperidin-2-one
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 28 percent / acetic acid / 11 h / Heating 2: 5percentPd on active carbon / pyridine / 17 h / Heating 3: 53 percent / triethylamine / dioxane / 8 h / Heating View Scheme |
- 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
- 214750-99-9
6-benzylaminohexanoic acid {8-[(6-benzylaminohexanoyl)methylamino]octyl}methylamide
| Conditions | Yield |
|---|---|
| With triethylamine; potassium iodide In N,N-dimethyl-formamide | 97% |
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one Chemical Properties
Molecular Structure of 5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one (CAS NO.28797-48-0):
.png)
IUPAC Name: 11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Empirical Formula: C14H10ClN3O2
Molecular Weight: 287.7011
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 53.51 Å2
Index of Refraction: 1.637
Molar Refractivity: 72.98 cm3
Molar Volume: 203.2 cm3
Surface Tension: 59.2 dyne/cm
Density: 1.415 g/cm3
Flash Point: 244.7 °C
Enthalpy of Vaporization: 74.57 kJ/mol
Boiling Point: 481.1 °C at 760 mmHg
Vapour Pressure: 2.06E-09 mmHg at 25°C
InChI
InChI=1/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)
Smiles
N1(c2c(C(=O)Nc3c1nccc3)cccc2)C(=O)CCl
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one Specification
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one , with CAS number of 28797-48-0, can be called 11-(Chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one ; 6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(2-chloroacetyl)-5,11-dihydro- ; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(chloroacetyl)-5,11-dihydro- ; (6H)Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5-hydro-11-(monochloromethyl)carbonyl- ; 11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one .
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