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| CAS No.: | 314268-40-1 |
|---|---|
| Name: | METHYL 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOATE |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H20N2O2 |
| Molecular Weight: | 248.325 |
| Synonyms: | 4-[(4-Methyl-1-piperazinyl)methyl]benzoicacid methyl ester;4-[(4-Methylpiperazino)methyl]benzoic acid methyl ester;Methyl4-[(4-methylpiperazino)methyl]benzoate; |
| Density: | 1.104 g/cm3 |
| Melting Point: | 148-150 °C |
| Boiling Point: | 351.9 °C at 760 mmHg |
| Flash Point: | 166.6 °C |
| Hazard Symbols: |
 C
|
| PSA: | 32.78000 |
| LogP: | 1.09640 |
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- 852475-26-4MC1568
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With [m-(1,4-diazabicyclo[2.2.2]octanekN1:kN4)]hexamethyldialuminum In toluene for 1h; Schlenk technique; Reflux; | 98% |
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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