CAS No.13889-98-0,1-Acetylpiperazine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13889-98-0
Name:	1-Acetylpiperazine
Article Data:	45

Formula:	C₆H₁₂N₂O
Molecular Weight:	128.174
Synonyms:	Piperazine,1-acetyl- (6CI,7CI,8CI,9CI);1-(Piperazin-1-yl)ethanone;1-(Piperazinyl)ethanone;4-Acetylpiperazine;N-Acetylpiperazin;N-Acetylpiperazine;NSC 39649;
EINECS:	237-659-0
Density:	1.027 g/cm³
Melting Point:	31-34 °C(lit.)
Boiling Point:	257.9 °C at 760 mmHg
Flash Point:	109.8 °C
Solubility:	Soluble in water 210 g/L (20°C).
Appearance:	clear light yellow liquid after melting
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	32.34000
LogP:	-0.29520

Synthetic route

: 1-Acetyl-4-(t-butyloxycarbonyl)piperazine

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
With hydrogenchloride In ethyl acetate	100%
With trifluoroacetic acid In dichloromethane at 25℃; for 0.5h;	88.8%
Acidic conditions;

: 110-85-0
piperazine

: 1363906-80-2
1-acetyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidinium tetraphenylborate

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 1h; Inert atmosphere;	99%

: 110-85-0
piperazine

: 82831-12-7
1,3-diacetyl-5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid ethyl ester

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1.3h;	94%

: 110-85-0
piperazine

: 2735-73-1
1,3-diacetyl-1,3-dihydro-benzoimidazol-2-one

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.333333h;	93%

: 110-85-0
piperazine

: 75-36-5
acetyl chloride

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
With acetic acid at 60℃; for 0.0666667h; Sonication; Irradiation;	90%
With water; sodium acetate

: 110-85-0
piperazine

: 21265-71-4
1,3-diacetyl-4,5-dimethylimidazolin-2(1H)-one

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 2.5h;	88%

: 110-85-0
piperazine

: 20212-13-9
1,3-diacetyl-2,3-dihydro-1H-imidazol-2-one

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 2.5h;	85%

: 110-85-0
piperazine

: 108-24-7
acetic anhydride

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
With pyridine; aluminum oxide at 77 - 80℃; for 0.5h; microwave irradiation;	75%
In dichloromethane at 0℃; for 5h;	20%
With acetic acid

: 2466-76-4
N-Acetylimidazole

: 142-64-3
piperazine dihydrochloride

A: 13889-98-0
N-acetylpiperidine

B: 18940-57-3
1,4-diacetylpiperazine

Conditions

Conditions	Yield
In ethanol; water at 20℃; for 6.16667h;	A 70% B n/a

...Expand

: 110-85-0
piperazine

: 122-79-2
Phenyl acetate

: 13889-98-0
N-acetylpiperidine

Conditions

Conditions	Yield
In water at 55℃; for 24h;	69%
With acetonitrile

Raw Materials

830-03-5

21265-71-4

4232-27-3

122-79-2

2735-73-1

142-64-3

108-24-7

Downstream Products

56-38-2

Total:156 Page 1 of 5 1 2 3 4 5 Next>>

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Specification

The Ethanone,1-(1-piperazinyl)-, with CAS registry number 13889-98-0, belongs to the following product categories: (1)Piperidines, Piperidones, Piperazines; (2)Piperaizine; (3)API intermediates; (4)Piperazines; (5)Building Blocks; (6)Heterocyclic Building Blocks. It has the systematic name of 1-(piperazin-1-yl)ethanone. This chemical is a kind of clear light yellow liquid after melting. This chemical should be stored at the temperature of 2-8 ℃.

Physical properties of Ethanone,1-(1-piperazinyl)-: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 34.56 cm³; (15)Molar Volume: 124.8 cm³; (16)Polarizability: 13.7×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Enthalpy of Vaporization: 49.55 kJ/mol; (19)Vapour Pressure: 0.0142 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and piperazine. This reaction will need reagents pyridine, basic Al₂O₃. The reaction time is 0.5 hour(s) with reaction temperature of 77 - 80 ℃. The yield is about 75%.

Uses of Ethanone,1-(1-piperazinyl)-: it can be used to produce 1-[4-(6-chloro-3-nitro-pyridin-2-yl)-piperazin-1-yl]-ethanone. This reaction will need reagents triethylamine; HCl and CHCl₃. The reaction time is 2 hour(s) with reaction temperature of -5 - 0 ℃. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(1-piperazinyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCNCC1)C
(2)InChI: InChI=1/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
(3)InChIKey: PKDPUENCROCRCH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
(5)Std. InChIKey: PKDPUENCROCRCH-UHFFFAOYSA-N

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