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Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
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Name

Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate

 EINECS N/A
CAS No. 314268-40-1 Density 1.104 g/cm3
PSA 32.78000 LogP 1.09640
Solubility N/A Melting Point 148-150 °C
Formula C14H20N2O2 Boiling Point 351.9 °C at 760 mmHg
Molecular Weight 248.325 Flash Point 166.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 314268-40-1 (METHYL 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOATE) Hazard Symbols CorrosiveC
Synonyms

4-[(4-Methyl-1-piperazinyl)methyl]benzoicacid methyl ester;4-[(4-Methylpiperazino)methyl]benzoic acid methyl ester;Methyl4-[(4-methylpiperazino)methyl]benzoate;

Article Data 33

Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate Synthetic route

109-01-3

1-methyl-piperazine

1571-08-0

methyl 4-formylbenzoate

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
With sodium tetrahydroborate; acetic acid In chloroform at 0 - 20℃; for 13h;99%
With sodium tetrahydroborate; acetic acid In chloroform at 0 - 20℃;98%
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 1.5h;98%
109-01-3

1-methyl-piperazine

2417-72-3

Methyl 4-(bromomethyl)benzoate

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
In tetrahydrofuran at 100℃; Cooling with ice; Microwave irradiation;97%
With potassium carbonate In acetonitrile at 20℃; for 7h;93%
With triethylamine In dichloromethane at 20℃;93%
67-56-1

methanol

106261-48-7

4-(4-methylpiperazin-1-ylmethyl)benzoic acid

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
With toluene-4-sulfonic acid for 48h; Heating;85%
1015484-22-6

1-methyl-4-((trifluoro-λ4-boranyl)methyl)piperazine potassium

619-42-1

4-methoxycarbonylphenyl bromide

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
With C52H67ClFeNPPd; caesium carbonate In tetrahydrofuran; water at 80℃; for 12h; Suzuki-Miyaura cross-coupling;83%
109-01-3

1-methyl-piperazine

1571-08-0

methyl 4-formylbenzoate

A

7556-55-0

1-formyl-4-methylpiperidine

B

6908-41-4

4-(methoxycarbonyl)benzyl alcohol

C

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
Stage #1: 1-methyl-piperazine With formic acid for 0.25h; cooling;
Stage #2: methyl 4-formylbenzoate at 180 - 200℃; for 8h; Leuckart-Wallach reaction; Further stages.;		A n/a
B n/a
C 70%
106261-48-7

4-(4-methylpiperazin-1-ylmethyl)benzoic acid

18107-18-1

diazomethyl-trimethyl-silane

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
In methanol; diethyl ether; toluene at 20℃; for 21.1667h;44.2%
109-01-3

1-methyl-piperazine

34040-64-7

p-methyloxycarbonylbenzyl chloride

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

Conditions
ConditionsYield
With sodium iodide In acetone at 60℃; for 10.5h;
314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

106261-48-7

4-(4-methylpiperazin-1-ylmethyl)benzoic acid

Conditions
ConditionsYield
With water; lithium hydroxide In tetrahydrofuran for 4h; Reflux;100%
With water; lithium hydroxide In tetrahydrofuran for 4h; Reflux;100%
314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

4-((4-methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water at 100℃; for 3h;98%
With hydrogenchloride In water Reflux;96%
With hydrogenchloride; water for 10h; Reflux;286 mg
41131-23-1

6-methyl-N-phenylbenzene-1,3-diamine

314268-40-1

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

N-(4-methyl-3-(phenylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide

Conditions
ConditionsYield
With [m-(1,4-diazabicyclo[2.2.2]octanekN1:kN4)]hexamethyldialuminum In toluene for 1h; Schlenk technique; Reflux;98%

Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate Specification

The Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, methyl ester, with the CAS registry number 314268-40-1, is also known as Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate 97%. This chemical's molecular formula is C14H20N2O2 and molecular weight is 248.32. Its systematic name is called methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.

Physical properties of Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, methyl ester: (1)ACD/LogP: 0.90; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.546; (5)Molar Refractivity: 71.22 cm3; (6)Molar Volume: 224.7 cm3; (7)Surface Tension: 41.6 dyne/cm; (8)Density: 1.104 g/cm3; (9)Flash Point: 166.6 °C; (10)Enthalpy of Vaporization: 59.67 kJ/mol; (11)Boiling Point: 351.9 °C at 760 mmHg; (12)Vapour Pressure: 3.97E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1)CN2CCN(CC2)C
(2)InChI: InChI=1/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3
(3)InChIKey: MEYCYFIWDAQKQK-UHFFFAOYAV

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