4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid

Modify Date: 2025-08-27 11:28:58

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure
4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid structure
Common Name 4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid
CAS Number 106261-48-7 Molecular Weight 234.294
Density 1.2±0.1 g/cm3 Boiling Point 377.2±32.0 °C at 760 mmHg
Molecular Formula C13H18N2O2 Melting Point N/A
MSDS N/A Flash Point 181.9±25.1 °C

 Names

Name 4-(4-Methyl-1-piperazinylmethyl)benzoic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 377.2±32.0 °C at 760 mmHg
Molecular Formula C13H18N2O2
Molecular Weight 234.294
Flash Point 181.9±25.1 °C
Exact Mass 234.136826
PSA 43.78000
LogP 0.60
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.580
InChIKey ZJUXJQSYXBYFFO-UHFFFAOYSA-N
SMILES CN1CCN(Cc2ccc(C(=O)O)cc2)CC1

 Safety Information

Hazard Codes Xi
HS Code 2933599090

 Synthetic Route

~90%

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure

4-[(4-Methyl-1-...

CAS#:106261-48-7

Literature: Koroleva, Elena V.; Kadutskii, Aleksey P.; Farina, Alexander V.; Ignatovich, Janna V.; Ermolinskaya, Anastasiya L.; Gusak, Klaudiya N.; Kalinichenko, Elena N. Tetrahedron Letters, 2012 , vol. 53, # 38 p. 5056 - 5058

~76%

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure

4-[(4-Methyl-1-...

CAS#:106261-48-7

Literature: MacDonald, Peter; Rossetto, Pierluigi Patent: US2008/103305 A1, 2008 ; Location in patent: Page/Page column 7 ;

~99%

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure

4-[(4-Methyl-1-...

CAS#:106261-48-7

Literature: ORION CORPORATION Patent: WO2004/63191 A1, 2004 ; Location in patent: Page 74 ;

~%

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure

4-[(4-Methyl-1-...

CAS#:106261-48-7

Literature: WO2004/63191 A1, ; Page 8 ;

~40%

Detail
Literature: Ignatovich; Gusak; Chernikhova; Kozlov; Koroleva Chemistry of Heterocyclic Compounds, 2007 , vol. 43, # 12 p. 1540 - 1543

~%

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure

4-[(4-Methyl-1-...

CAS#:106261-48-7

Literature: WO2011/8788 A1, ; WO 2011/008788 A1

~%

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid Structure

4-[(4-Methyl-1-...

CAS#:106261-48-7

Literature: WO2011/8788 A1, ; WO 2011/008788 A1

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid
Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-
4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
4-(4-Methylpiperazin-1-ylmethyl)benzoic acid
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