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