CAS No.109-01-3,1-Methylpiperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109-01-3
Name:	1-Methylpiperazine
Article Data:	113

Formula:	C₅H₁₂N₂
Molecular Weight:	100.164
Synonyms:	1-Methyl-1,4-piperazine;N-Methylpiperazine;NSC 30195;NSC 30675;N-Methyl piperazine;
EINECS:	203-639-5
Density:	0.882 g/cm³
Melting Point:	-6 °C
Boiling Point:	138 °C at 760 mmHg
Flash Point:	42.2 °C
Solubility:	miscible with water and methanol
Appearance:	Colourless liquid
Hazard Symbols:	T,F,C,Xi
Risk Codes:	10-21-23-34-36/37/38
Safety:	16-26-36/37/39-45-36
Transport Information:	UN 2734 8/PG 2
PSA:	15.27000
LogP:	-0.21190

Synthetic route

: (1S,2S,5R,6R,7S,8S)-1,6-Dimethyl-8-(4-methyl-piperazin-1-yl)-3,4-diaza-tricyclo[3.2.1.02,7]oct-3-ene-2,5-dicarboxylic acid dimethyl ester

A: 109-01-3
1-methyl-piperazine

B: 2166-25-8
dimethyl 4-methylpyridazine-3,6-dicarboxylate

Conditions

Conditions	Yield
In xylene for 6h; Heating;	A n/a B 100%
under 0.075006 Torr; Pyrolysis;

: 16339-07-4
1-methyl-4-nitroso-piperazine

A: 109-01-3
1-methyl-piperazine

B: 6928-85-4
N-amino-N'-methylpiperazine

Conditions

Conditions	Yield
With carbon dioxide; water; ammonium chloride; zinc at 35℃; under 1500.15 Torr; for 1.5h; Reagent/catalyst; Temperature; Pressure; Autoclave; Green chemistry;	A n/a B 96%
With hydrogen In water at 50℃; under 37503.8 Torr; for 5h; Autoclave; Green chemistry;	A n/a B 38%

: 5423-24-5
N-methyliminodiacetonitrile

A: 109-01-3
1-methyl-piperazine

B: 4097-88-5
1,5-diamino-3-azamethylpentane

Conditions

Conditions	Yield
With hydrogen In methanol at 120 - 600℃; under 15001.5 Torr; Temperature; Solvent; Reagent/catalyst;	A 92.4% B 6.8%

: 5423-24-5
N-methyliminodiacetonitrile

: 109-01-3
1-methyl-piperazine

Conditions

Conditions	Yield
With hydrogen In methanol at 100 - 600℃; under 15001.5 Torr;	92.1%

: 325812-49-5
2-nitro-(N-methylpiperazinyl)phenylsulphonamide

: 109-01-3
1-methyl-piperazine

Conditions

Conditions	Yield
With polystyrene-thiophenol; caesium carbonate; triphenylphosphine In tetrahydrofuran at 20℃; for 24h;	92%

: 64055-53-4
2-[2-(ethyloxy)phenyl]quinazoline-4(3H)-one

A: 109-01-3
1-methyl-piperazine

B: 150479-47-3
2-[2-Ethoxy-5-(4-methyl-1-piperazinylsulphonyl)phenyl]-quinazolin-4(3H)-one

Conditions

Conditions	Yield
	A n/a B 79%
	A n/a B 79%

: 16339-07-4
1-methyl-4-nitroso-piperazine

: 109-01-3
1-methyl-piperazine

Conditions

Conditions	Yield
With ammonium formate; PdMCM-41 In methanol at 69.84℃; for 2.5h;	74%
With hydrogenchloride; ammonium sulphamate; sodium thiocyanide at 50℃; Rate constant; 1 N HClO4 (aq.), NaSCN;

: 66739-87-5
4-methylpiperazin-1-ylbenzenesulfonamide

: 109-01-3
1-methyl-piperazine

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 3h; Heating;	74%

: 110-85-0
piperazine

: 616-38-6
carbonic acid dimethyl ester

A: 109-01-3
1-methyl-piperazine

B: 106-58-1
N,N'-dimethylpiperazine

Conditions

Conditions	Yield
at 110℃; for 10h; atmospheric pressure;	A 29% B n/a

...Expand

: 110-85-0
piperazine

: 616-38-6
carbonic acid dimethyl ester

: 109-01-3
1-methyl-piperazine

Conditions

Conditions	Yield
at 110℃; for 10h;	29%

Raw Materials

5625-52-5

53788-49-1

111-42-2

124-40-3

593-51-1

104079-76-7

3651-67-0

67-56-1

Downstream Products

348-61-8

110-91-8

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of this chemical is 1-methylpiperazine. With the CAS registry number 109-01-3 and EINECS 203-639-5, it is also named as Piperazine, 1-methyl-. The product's categories are Piperidines, Piperidones, Piperazines; Piperaizine; Piperazine Derivates; Heterocyclic Building Blocks; Heterocyclics; MAlphabetic; Volatiles / Semivolatiles. It is colourless liquid which is soluble in water, ether and ethanol, and miscible with water and methanol. Waht's more, this chemical can be obtained by methylation of piperazine hexahydrate. Additionally, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -2.37; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 30.06 cm³; (15)Molar Volume: 113.5 cm³; (16)Surface Tension: 25.5 dyne/cm; (17)Enthalpy of Vaporization: 37.53 kJ/mol; (18)Vapour Pressure: 6.86 mmHg at 25°C; (19)Exact Mass: 100.100048; (20)MonoIsotopic Mass: 100.100048; (21)Topological Polar Surface Area: 15.3; (22)Heavy Atom Count: 7; (23)Complexity: 48.

Uses of N-Methylpiperazine: It is used as intermediate in organic synthesis. In pharmaceutical industry, it is used to produce antibiotic drug Rifampicin, antipsychotic drug trifluoperazine and so on. It is not only used as intermediate of ofloxacin, clozapine, sildenafil, zopiclone, but also used in pesticides, dyes, plastics and other industries. In addition, this chemical can react with 1-chloro-4-methoxy-benzene to get 1-(4-methoxy-phenyl)-4-methyl-piperazine. This reaction which is a kind of Arylation needs reagent Pd(OAc)₂, t-BuONa, 2-(dicyclohexylphosphino)biphenyl and solvent toluene at temperature of 100 °C. The reaction time is 21 hours. The yield is 83%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and can cause burns, so people should keep it away from sources of ignition. It is not only toxic by inhalation, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:N1CCN(C)CC1
2. InChI:InChI=1/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
3. InChIKey:PVOAHINGSUIXLS-UHFFFAOYAN

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	2740mg/m³/2H (2740mg/m³)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 11, Pg. 123, 1969.
mouse	LD50	intraperitoneal	150mg/kg (150mg/kg)		National Technical Information Service. Vol. AD691-490,
mouse	LD50	oral	1450mg/kg (1450mg/kg)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 116, 1979.
rabbit	LD50	skin	1490uL/kg (1.49mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	2830uL/kg (2.83mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.