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Cas Database |
| Name |
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine |
EINECS | 610-916-8 |
| CAS No. | 5294-61-1 | Density | 1.101±0.06 g/cm3(Predicted) |
| PSA | 44.37000 | LogP | 1.48680 |
| Solubility | N/A | Melting Point |
110-112 °C |
| Formula | C14H21N3O | Boiling Point | 411.2 °C at760mmHg |
| Molecular Weight | 247.34 | Flash Point | 202.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | pale beige solid | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Piperazineaceto-2',6'-xylidide(7CI,8CI);4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine;1-Piperazineacetamide,N-(2,6-dimethylphenyl)-;RS 94287;1-[N-(2, 6-dimethylphenyl)-Carbamoylmethyl] piperazine;N-(2,6-Dimethylphenyl)-2-piperazinylacetamide; |
Article Data | 21 |
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine Synthetic route
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
- 57260-71-6
1-t-Butoxycarbonylpiperazine
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| In water at 80 - 110℃; for 7h; | 95% |
- 110-85-0
piperazine
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In water at 20 - 60℃; for 3h; | 85% |
| In ethanol at 80℃; for 3h; Product distribution / selectivity; | 77% |
| In methanol at 25℃; Reflux; Large scale reaction; | 71% |
- 1324752-00-2
tert-butyl 4-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)piperazine-1-carboxylate
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane at 0℃; for 3h; | 72% |
- 110-85-0
piperazine
- 50-00-0
formaldehyd
- 119072-54-7, 2769-71-3
2,6-dimethylphenyl isonitrile
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| With 2-(hydroxymethyl)benzoic acid In methanol Ugi Condensation; Reflux; | 70% |
- 142-63-2
piperazine hexahydrate
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| In ethanol for 3h; Reflux; | 63% |
- 110-85-0
piperazine
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
B
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| In methanol at 25℃; Reflux; Large scale reaction; | A 34.6% B 21% |
| With hydrogenchloride In isopropyl alcohol at 80℃; for 21h; Inert atmosphere; | |
| Stage #1: piperazine With hydrogenchloride In water at 10 - 30℃; Inert atmosphere; Large scale; Stage #2: 2-chloro-N-(2,6-dimethylphenyl)acetamide In water at 80℃; for 2h; Solvent; Time; Concentration; Inert atmosphere; Large scale; | A n/a B 5.12 kg |
| With sodium carbonate In tetrahydrofuran at 20℃; for 72h; |
- 108-18-9
diisopropylamine
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| In ethanol |
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In ethanol | |
| With N-ethyl-N,N-diisopropylamine In ethanol | |
| Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 4 h / 25 °C 2: trifluoroacetic acid / dichloromethane / 3 h / 0 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium carbonate / dichloromethane / 1.5 h / 10 - 15 °C / Large scale reaction 2: methanol / 25 °C / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 2 steps 1: sodium carbonate / dichloromethane / 1.5 h / 10 - 15 °C / Large scale reaction 2: methanol / 25 °C / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 2 steps 1: water / 2 h / 20 °C 2: water / 7 h / 80 - 110 °C View Scheme |
- 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide
- 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide
| Conditions | Yield |
|---|---|
| In water Reflux; |
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine Chemical Properties
Following is the structure of N-(2,6-Diphenylmethyl)-1-piperazine acetylamine (CAS NO.5294-61-1):
.jpg)
IUPAC Name: N-(2,6-Dimethylphenyl)-2-piperazin-1-ylacetamide
Molecular Formula: C14H21N3O
Molecular Weight: 247.34 g/mol
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 247.168462
MonoIsotopic Mass: 247.168462
Topological Polar Surface Area: 44.4
Heavy Atom Count: 18
Complexity: 266
Index of Refraction: 1.568
Molar Refractivity: 73.54 cm3
Polarizability: 29.15×10-24cm3
Surface Tension: 44.1 dyne/cm
Molar Volume: 224.6 cm3
Density: 1.101 g/cm3
Flash Point: 202.5 °C
Melting Point: 110-112 °C
Enthalpy of Vaporization: 66.36 kJ/mol
Boiling Point: 411.2 °C at 760 mmHg
Vapour Pressure: 5.7E-07 mmHg at 25 °C
Appearance of N-(2,6-Diphenylmethyl)-1-piperazine acetylamine (CAS NO.5294-61-1): pale beige solid
Product Categories: Intermediatesofranolazine; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Ranolazine
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCNCC2
InChI: InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine Uses
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine (CAS NO.5294-61-1) is used for a metabolite of Ranolazine .
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine Safety Profile
HazardClass of N-(2,6-Diphenylmethyl)-1-piperazine acetylamine (CAS NO.5294-61-1): Irritant
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine Specification
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine (CAS NO.5294-61-1), its Synonyms are 1-[(2,6-Dimethylanilino)carbonyl-methyl]-piperazine ; N-(2,6-Dimethylphenyl)-1-piperazin-acetamide ; N-(2,6-Dimethyl-phenyl)-2-piperazin-1-yl-acetamide ; N-(2,6-Diphenylmethyl)-1-piperazine acetylamine ; 1-[N-(2,6-Dimethylphenyl)carbamoylmethyl]piperazine ; 1-(2,6-Dimethylphenyl)-1-piperazineacetamide . It is pale beige solid.
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