4-Methyl-1-piperazinecarbonyl chloride hydrochloride

 

The 4-Methylpiperazine-1-carbonyl chloride monohydrochloride, with the CAS registry number 55112-42-0, is also known as N-Methylpiperazin-4-carbamoyl chloride hydrochloride. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Piperazines. Its EINECS registry number is 259-482-8. This chemical's molecular formula is C₆H₁₂Cl₂N₂O and molecular weight is 199.08. Its IUPAC name is called 4-methylpiperazine-1-carbonyl chloride hydrochloride. The product should be sealed and stored in cool and dry place.

Physical properties of 4-Methylpiperazine-1-carbonyl chloride monohydrochloride: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): -1.49; (3)ACD/LogD (pH 7.4): -0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 16.1; (8)#H bond acceptors: 3; (9)Flash Point: 103.5 °C; (10)Enthalpy of Vaporization: 48.46 kJ/mol; (11)Boiling Point: 247.5 °C at 760 mmHg; (12)Vapour Pressure: 0.0256 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzyl-4-methyl-piperazine and carbonic acid bis-trichloromethyl ester. This reaction will need solvent CH₂Cl₂. The reaction time is 24 hours. The yield is about 77%.

Uses of 4-Methylpiperazine-1-carbonyl chloride monohydrochloride: it can be used to produce 4-methyl-piperazine-1-carboxylic acid (1-benzyl-5-oxo-pyrrolidin-3-ylmethyl)-amide by heating. This reaction will need reagent Et₃N and solvent dioxane with reaction time of 2.5 hours. The yield is about 48%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)C(=O)Cl.Cl
(2)InChI: InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H
(3)InChIKey: WICNYNXYKZNNSN-UHFFFAOYSA-N