4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Chemical Properties

Melting point:

305-307°C

storage temp. 

Inert atmosphere,Room Temperature

Water Solubility 

Soluble in water

solubility 

Methanol (Slightly, Heated), Water (Slightly)

form 

powder to crystal

color 

White to Almost white

Stability:

Hygroscopic

InChI

InChI=1S/C13H18N2O2.2ClH.H2O/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H;1H2

InChIKey

ISHROKOWRJDOSN-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(C=C1)CN1CCN(CC1)C.Cl.Cl.O

LogP

0.6

CAS DataBase Reference

106261-49-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

22-26-36/37/39

HS Code 

2933.59.8000

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Usage And Synthesis

Chemical Properties

White Solid

Uses

4-(4-Methylpiperazinomethyl)benzoic Acid, Dihydrochloride (cas# 106261-49-8) is a compound useful in organic synthesis.

Synthesis

P-cyanobenzyl chloride (1 g, 6.6 mmol) was dissolved in a mixed solvent of ethanol and water (10 mL, ethanol:water in mixed solvent = 2:1), methyl piperazine (1.2eq, 0.792 g, 7.92 mmol) was added, and the reaction was heated at 70 C for 1-2 h. After the reaction was completed, the reaction was cooled down to room temperature and most of the ethanol was recovered to give 4-(4-methyl-1- Piperazinyl)benzonitrile, add sodium hydroxide (6eq, 1.584g, 39.6mmol), heat the reaction at 70 , wait for the reaction is complete, cool to room temperature, slowly add dilute hydrochloric acid dropwise under an ice bath to pH=1, add sodium chloride to saturation, cool to precipitate a solid, filter, and dry, that is, to obtain 4-(4-methylpiperazin-1-ylmethyl)benzoic acid hydrochloride (2.0g).

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride(106261-49-8)Related Product Information

• 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid
• 1-Methylpiperazine
• o-Toluic acid
• Methyl salicylate
• m-Toluic acid
• 4-(Aminomethyl)benzoic acid
• Kresoxim-methyl
• 2-(Trifluoromethyl)benzoic acid
• METSULFURON METHYL
• 4-(Chloromethyl)benzoic acid
• p-Toluic acid
• Tribenuron methyl
• N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine
• Thiophanate-methyl
• Dihydrochloride
• Methyl
• 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
• N-DESMETHYL IMATINIB