N-Methylhomopiperazine Chemical Properties

Boiling point:

74-75 °C/35 mmHg (lit.)

Density 

0.918 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.477(lit.)

Flash point:

113 °F

storage temp. 

-20°C

form 

liquid

pka

10.82±0.20(Predicted)

Appearance

Colorless to light yellow Liquid

InChI

InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3

InChIKey

FXHRAKUEZPSMLJ-UHFFFAOYSA-N

SMILES

N1(C)CCCNCC1

CAS DataBase Reference

4318-37-0(CAS DataBase Reference)

NIST Chemistry Reference

N-methyl homopiperazine(4318-37-0)

Safety Information

Hazard Codes 

C

Risk Statements 

10-22-34

Safety Statements 

16-26-27-36/37/39-45

RIDADR 

UN 2920 8/PG 2

WGK Germany 

3

HazardClass 

4.1

PackingGroup 

II

HS Code 

29339900

Storage Class

3 - Flammable liquids

Hazard Classifications

Acute Tox. 4 Oral
Flam. Liq. 3
Skin Corr. 1B

MSDS

• Language:English Provider:Hexahydro-1-methyl-1H-1,4-diazepine
• Language:English Provider:SigmaAldrich

N-Methylhomopiperazine Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

1-Methylhomopiperazine was used in the synthesis of:

• novel benzimidazole derivatives having pharmacological activities
• platinum(II) substituted disulfide complexes

General Description

1-Methylhomopiperazine undergoes coupling reaction with a series of diazonium salts to afford the 4-methyl-1-[2-aryl-1-diazenyl]-1,4-diazepanes.

Synthesis

(1) N-(2-haloethyl)trifluoroacetamide was prepared by reacting with ethyl trifluoroacetate in the presence of a solvent and a catalyst using a 2-haloethylamine compound as an initial raw material;

(2) N-(2-haloethyl)trifluoroacetamide obtained in step (1) was prepared by reacting with methylamine or methylamine hydrochloride in the presence of a solvent and a catalyst to obtain N-methyl-N'-trifluoroacetylethylenediamine;

(3) taking N-methyl-N'-trifluoroacetylethylenediamine obtained in step (2) as raw material, reacting with 1,3-disubstituted propane compounds under the action of a solvent and a catalyst to prepare N-methyl-N '-trifluoroacetylhomopiperazine;

(4) using N-methyl-N'-trifluoroacetylhomopiperazine obtained in step (3) as raw material, reacting with hydrogen chloride ethanol solution to prepare to obtain N-methylhomopiperazine dihydrochloride and recovering ethyl trifluoroacetate;

(5) using N-methylhomopiperazine obtained in step (4) as raw material, reacting with 1,3-disubstituted propane compound under the effect of solvent and catalyst to prepare to obtain N-methylhomopiperazine dihydrochloride;

(5) using N-methylhomopiperazine dihydrochloride obtained in step (4) was used as raw material, and N-methylhomopiperazine was prepared by alkalization under the action of solvent and catalyst.

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