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CAS No.: | 41186-03-2 |
---|---|
Name: | 1-(3-Methylphenyl)piperazine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C11H16N2 |
Molecular Weight: | 176.261 |
Synonyms: | 1-(3-Methylphenyl)piperazine;1-(3-Tolyl)piperazine;1-(m-Methylphenyl)piperazine;1-m-Tolylpiperazine;4-(3-Methylphenyl)piperazine;N-(3-Methylphenyl)piperazine;N-(3-Tolyl)piperazine;N-m-Tolylpiperazine;NSC 150848;NSC 184825; |
EINECS: | 255-251-0 |
Density: | 1.012 g/cm3 |
Melting Point: | 125-128 °C |
Boiling Point: | 321.4 °C at 760 mmHg |
Flash Point: | 154 °C |
Appearance: | clear colorless to yellow viscous liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 15.27000 |
LogP: | 1.79840 |
1-(m-tolyl)piperazine hydrochloride
1-(3-Methylphenyl)piperazine
Conditions | Yield |
---|---|
With sodium hydroxide In water at 20℃; for 0.5h; pH=11 - 12; | 92% |
Conditions | Yield |
---|---|
Stage #1: piperazine With [2,2]bipyridinyl; tert-Amyl alcohol; nickel diacetate In tetrahydrofuran at 63℃; for 2h; complex formation; Stage #2: 1-chloro-3-methylbenzene With styrene In tetrahydrofuran for 6h; Arylation; Heating; | 82% |
piperazine
1-chloro-3-methylbenzene
A
1-(3-Methylphenyl)piperazine
B
1,4-bis(3-methylphenyl)piperazine
Conditions | Yield |
---|---|
Stage #1: piperazine With [2,2]bipyridinyl; nickel diacetate; sodium hydride; tert-Amyl alcohol In tetrahydrofuran at 65℃; for 2h; Stage #2: 1-chloro-3-methylbenzene With styrene In tetrahydrofuran at 65℃; for 6h; | A 82% B 9% |
Stage #1: piperazine With [2,2]bipyridinyl; tert-Amyl alcohol; nickel diacetate In tetrahydrofuran at 63℃; for 2h; complex formation; Stage #2: 1-chloro-3-methylbenzene With styrene In tetrahydrofuran for 9h; Arylation; Heating; | A 57% B 15% |
Stage #1: piperazine With [2,2]bipyridinyl; nickel diacetate; sodium hydride; tert-Amyl alcohol In tetrahydrofuran at 65℃; for 2h; Stage #2: 1-chloro-3-methylbenzene With styrene In tetrahydrofuran at 65℃; for 9h; | A 57% B 15% |
Conditions | Yield |
---|---|
With hydrogenchloride for 0.35h; Irradiation; | 50.3% |
25% |
Conditions | Yield |
---|---|
With potassium dihydrogenphosphate; copper(l) iodide In 1,2-dimethoxyethane; isopropyl alcohol for 18h; Reflux; Inert atmosphere; | 23% |
piperazine
meta-bromotoluene
A
1-(3-Methylphenyl)piperazine
B
1,4-bis(3-methylphenyl)piperazine
C
toluene
Conditions | Yield |
---|---|
With sodium t-butanolate; palladium bis(dibenzylideneacetone)palladium(0); tri-tert-butyl phosphine In o-xylene at 120℃; Yield given. Yields of byproduct given; |
m-toluidine hydrochloride
1-(3-Methylphenyl)piperazine
bis-(2-chloroethyl)amine hydrochloride
1-amino-3-methylbenzene
1-(3-Methylphenyl)piperazine
Conditions | Yield |
---|---|
With potassium carbonate In butan-1-ol for 28h; Reflux; |
1-(3-Methylphenyl)piperazine
Conditions | Yield |
---|---|
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In dichloromethane; ethyl acetate at 0 - 20℃; for 48h; | 96% |
1-(3-Methylphenyl)piperazine
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 21h; Silica gel; | 95% |
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The Piperazine, 1-(3-methylphenyl)-, with the CAS registry number 41186-03-2, is also known as 1-(m-Tolyl)piperazine. It belongs to the product category of Piperidine. Its EINECS registry number is 255-251-0. This chemical's molecular formula is C11H16N2 and molecular weight is 176.25814. Its IUPAC name is called 1-(3-methylphenyl)piperazine. What's more, the product should be sealed and stored in cool and dry place.
Physical properties of Piperazine, 1-(3-methylphenyl)-: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): -1.33; (3)ACD/LogD (pH 7.4): 0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.33; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 54.63 cm3; (13)Molar Volume: 174 cm3; (14)Surface Tension: 36.3 dyne/cm; (15)Density: 1.012 g/cm3; (16)Flash Point: 154 °C; (17)Enthalpy of Vaporization: 56.31 kJ/mol; (18)Boiling Point: 321.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000299 mmHg at 25°C.
Uses of Piperazine, 1-(3-methylphenyl)-: it can be used to produce 1-[2-oxo-2-(4-m-tolyl-piperazin-1-yl)-ethyl]-pyrrolidin-2-one at temperature of 100 - 140 °C. This reaction will need reagent NaH with reaction time of 8 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC=C1)N2CCNCC2
(2)InChI: InChI=1S/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
(3)InChIKey: JIWHIRLNKIUYSM-UHFFFAOYSA-N