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

Name
N-(2,6-Diphenylmethyl)-1-piperazine acetylamine
EINECS 610-916-8
CAS No. 5294-61-1
Article Data21
CAS DataBase
Density 1.101±0.06 g/cm3(Predicted)
Solubility
Melting Point 110-112 °C
Formula C₁₄H₂₁N₃O
Boiling Point 411.2 °C at760mmHg
Molecular Weight 247.34
Flash Point 202.5 °C
Transport Information
Appearance
Safety pale beige solid
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 44.37000
LogP 1.48680

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

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

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

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

Conditions	Yield
With 2-(hydroxymethyl)benzoic acid In methanol Ugi Condensation; Reflux;	70%

...Expand

: 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

Conditions	Yield
In ethanol for 3h; Reflux;	63%

: 110-85-0
piperazine

: 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide

A: 2,2'-(piperazine-1,4-diyl)bis(N-(2,6-dimethylphenyl)acetamide)

B: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

Conditions

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;

...Expand

: 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

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

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

: 87-62-7
2,6-dimethylaniline

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

Conditions

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

: piperazine monophosphate

: 1131-01-7
2-chloro-N-(2,6-dimethylphenyl)acetamide

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

Conditions

Conditions	Yield
In water Reflux;

: 159484-66-9
N-(2,6-dimethylphenyl)-4-formyl-1-piperazineacetamide

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

Conditions

Conditions	Yield
With sodium hydroxide In water at 80℃; for 8h; pH=10; Reagent/catalyst;

: 43091-89-0
2-isothiocyanato-4,5-dimethoxybenzonitrile

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 122001-69-8
3,4-Dimethoxy-6-<4-(2,6-dimethylacetanilido)piperazin-1-yl>thiocarbamido-benzonitrile

Conditions

Conditions	Yield
In ethyl acetate for 20h;	100%

: 51594-55-9
(R)-(-)-epichlorohydrin

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 1427177-24-9
(R)-2-(4-(3-chloro-2-hydroxypropyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
In water at 15℃; for 1h;	97%

: 67843-74-7
(S)-epichlorohydrin

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 1427177-25-0
(S)-2-(4-(3-chloro-2-hydroxypropyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
In water at 15℃; for 1h;	96%

: 352-11-4
1-chloromethyl-4-fluorobenzene

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: N-(2,6-dimethylphenyl)-2-(4-(4-fluorobenzyl)piperazin-1-yl)acetamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25℃; for 10h;	94%

: 102-47-6
3,4-Dichlorophenylmethyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-(4-(3,4-dichlorobenzyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25℃; for 10h;	93%

: 345-35-7
2-fluorobenzyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: N-(2,6-dimethylphenyl)-2-(4-(2-fluorobenzyl)piperazin-1-yl)acetamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25℃; for 10h;	93%

: 589-17-3
p-bromobenzyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-(4-(4-bromobenzyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25℃; for 10h;	92%

: 55117-15-2
2-chloro-6 fluorobenzyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)-N-(2,6- dimethylphenyl)acetamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25℃; for 10h;	91%

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: N-(2,6-dimethylphenyl)-2-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 8h;	91%

: 22115-41-9
2-(bromomethyl)benzonitrile

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 185407-95-8
N-(2,6-dimethylphenyl)-2-[4-(2-cyanobenzyl)piperazin-1-yl]acetamide

Conditions

Conditions	Yield
With triethylamine In toluene for 3h; Heating;	90%

: 98-60-2
4-chlorobenzenesulfonyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 8h;	90%

: 98-58-8
4-bromobenzenesulfonyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-(4-((4-bromophenyl)sulfonyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 8h;	90%

: 98-74-8
4-Nitrobenzenesulfonyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: N-(2,6-dimethylphenyl)-2-(4-((4-nitrophenyl)sulfonyl)piperazin-1-yl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 8h;	89%

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 1-bromo-3-(2-methoxyphenoxy)-2-propyl alcohol

: 95635-55-5
Ranolazine

Conditions

Conditions	Yield
With potassium carbonate In ethanol; toluene for 3h; Solvent; Reagent/catalyst; Time; Temperature; Reflux;	87.4%

: 98-59-9
p-toluenesulfonyl chloride

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: N-(2,6-dimethylphenyl)-2-(4-tosylpiperazin-1-yl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 8h;	87%

: 28188-41-2
3-(bromomethyl)benzonitrile

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 185407-96-9
N-(2,6-dimethylphenyl)-2-[4-(3-cyanobenzyl)piperazin-1-yl]acetamide

Conditions

Conditions	Yield
With triethylamine In toluene for 3h; Heating;	85%

: 2210-74-4
2-(2-methoxy-phenoxymethyl)-oxirane

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 95635-55-5
Ranolazine

Conditions

Conditions	Yield
With Sulfated tungstate at 70℃; for 2h; Green chemistry;	85%
In methanol at 60℃; for 5h; Solvent;	85%
In methanol; toluene at 65℃; for 9h;	69.8%

: 100-47-0
benzonitrile

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 55340-20-0
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
With borane-ammonia complex; C16H29Cl2CoN2P at 20℃; for 13h; Schlenk technique; Inert atmosphere; chemoselective reaction;	82%

: 25772-81-0
1-chloro-3-(2-methoxyphenoxy)-2-propyl alcohol

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 95635-55-5
Ranolazine

Conditions

Conditions	Yield
With potassium carbonate In methanol; toluene for 4.5h; Solvent; Reagent/catalyst; Temperature; Reflux;	80.1%

: 22530-53-6
1-(2-benzyloxyphenoxy)-2,3-propylene oxide

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 1209000-03-2
1-[3-(2-benzyloxyphenoxy)-2-hydroxypropyl]-4-[N-(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine

Conditions

Conditions	Yield
In methanol; toluene at 65℃; for 9h;	74.7%

: 106-89-8
epichlorohydrin

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 1427177-23-8
(RS)-2-(4-(3-chloro-2-hydroxyphenyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
With palladium on activated charcoal In water at 20℃; for 2h;	72.8%
With sodium dodecyl-sulfate In water at 15℃; for 12h; Green chemistry;	70%
In water at 15℃; for 1h;

: 49645-95-6
1-(4-methoxy-2-(ethylene oxide-2-ylmethoxy)phenyl)ethanone

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-(4-(3-(2-acetyl-5-methoxyphenoxy)-2-hydroxypropyl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

Conditions

Conditions	Yield
In ethanol at 20℃;	72.4%

: 23680-84-4
2-chloro-6,7-dimethoxyquinazolin-4-amine

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 2-<4-(2,6-Dimethylacetanilide)piperazin-1-yl>-4-amino-6,7-dimethoxyquinazoline hydrochloride

Conditions

Conditions	Yield
In i-Amyl alcohol for 2.5h; Heating;	70%

: 96-24-2
3-monochloro-1,2-propanediol

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: CVT-2512

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol at 65℃;	66.2%

: 106-89-8
epichlorohydrin

: 5294-61-1
N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

: 1213269-66-9
1,3-bis{4-[(2,6-dimethylphenyl)aminocarbonylmethyl]-piperazin-1-yl}propan-2-ol

Conditions

Conditions	Yield
In acetone for 15h; Reflux;	45%

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):

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.

Product Name

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

Synthetic route

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

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

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

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

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