ChemicalBook--->CAS DataBase List--->5294-61-1

5294-61-1

5294-61-1 Structure

5294-61-1 Structure
IdentificationMore
[Name]

N-(2,6-Diphenylmethyl)-1-piperazine acetylamine
[CAS]

5294-61-1
[Synonyms]

1-[(2,6-DIMETHYLANILINO)CARBONYL-METHYL]-PIPERAZINE
N-(2,6-DIMETHYLPHENYL)-1-PIPERAZIN-ACETAMIDE
N-(2,6-DIMETHYLPHENYL)-1-PIPERAZINEACETAMIDE
N-(2,6-DIMETHYL-PHENYL)-2-PIPERAZIN-1-YL-ACETAMIDE
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine
1-[N-(2,6-dimethylphenyl)carbamoylmethyl]piperazine
RZ-2
1-(2,6-Dimethylphenyl)-1-Piperazineacetamide
N-(2,6-Dimethylphenyl)-1-Piper
N-(2,6-Dimethylphenyl)-2-1-Piperazinyl)Acetamide
1-Piperazineaceto-2',6'-xylidide
4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine
N-(2,6-Dimethylphenyl)-2-piperazinylacetamide
RS 94287
[EINECS(EC#)]

610-916-8
[Molecular Formula]

C14H21N3O
[MDL Number]

MFCD06384973
[Molecular Weight]

247.34
[MOL File]

5294-61-1.mol
Chemical PropertiesBack Directory
[Appearance]

Pale Beige Solid
[Melting point ]

110-112°C
[Boiling point ]

411.2±45.0 °C(Predicted)
[density ]

1.101±0.06 g/cm3(Predicted)
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO, Methanol
[form ]

Crystalline Powder
[pka]

14.62±0.70(Predicted)
[color ]

Light gray
[Usage]

A metabolite of Ranolazine
[Major Application]

pharmaceutical
[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)/p+2
[InChIKey]

NJKRFQIWDJSYOK-UHFFFAOYSA-N
[SMILES]

[N+H]2(CC[N+H2]CC2)CC(=O)Nc1c(cccc1C)C
[LogP]

0.74 at 20℃ and pH12
[CAS DataBase Reference]

5294-61-1(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2934990002
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1B
Hazard InformationBack Directory
[Chemical Properties]

Pale Beige Solid
[Uses]

A metabolite of Ranolazine
[Uses]

A metabolite of Ranolazine.
[Synthesis]

PIPERAZINE HEXAHYDRATE

142-63-2

2-Chloro-N-(2,6-dimethylphenyl)acetamide

1131-01-7

N-(2,6-Diphenylmethyl)-1-piperazine acetylamine

5294-61-1

The general procedure for the synthesis of N-(2,6-dimethylphenyl)-1-piperazine acetamide from piperazine hexahydrate and 2,6-dimethylchloroacetanilide was as follows: 58.3 g (0.3 mol) of piperazine hexahydrate was dissolved in 230 ml of ethanol, followed by the addition of 50.0 g (0.25 mol) of 2-chloro-N-(2,6-dimethylphenyl)acetamide. The reaction mixture was heated under reflux conditions for 3 hours until the reaction was complete. After completion of the reaction, the mixture was cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure followed by addition of 80 ml of water. The mixture was extracted with water and dichloromethane, and after separation of the organic layer, it was concentrated under vacuum at 60 °C to give 39.4 g of N-(2,6-dimethylphenyl)-1-piperazine acetamide in 63% yield. The product was characterized by 1HNMR (CDCl3): δ 2.23-2.27 (s, 6H), 2.67 (s, 4H), 2.96-2.98 (t, 4H), 3.19-3.21 (s, 2H), 7.08-7.26 (m, 3H), 8.69 (s, 1H).

[References]

[1] Patent: US2013/90475, 2013, A1. Location in patent: Paragraph 0029; 0030
Spectrum DetailBack Directory
[Spectrum Detail]

N-(2,6-Diphenylmethyl)-1-piperazine acetylamine(5294-61-1)1HNMR
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