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Basic Information
CAS No.: 41186-03-2
Name: 1-(3-Methylphenyl)piperazine
Article Data: 13
Molecular Structure:
Molecular Structure of 41186-03-2 (1-(3-Methylphenyl)piperazine)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 15.27000
LogP: 1.79840
Synthetic route
13078-13-2

1-(m-tolyl)piperazine hydrochloride

41186-03-2

1-(3-Methylphenyl)piperazine

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃; for 0.5h; pH=11 - 12;92%
110-85-0

piperazine

108-41-8

1-chloro-3-methylbenzene

41186-03-2

1-(3-Methylphenyl)piperazine

Conditions
ConditionsYield
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%
110-85-0

piperazine

108-41-8

1-chloro-3-methylbenzene

A

41186-03-2

1-(3-Methylphenyl)piperazine

B

3477-33-6

1,4-bis(3-methylphenyl)piperazine

Conditions
ConditionsYield
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%
111-42-2

2,2'-iminobis[ethanol]

108-44-1

1-amino-3-methylbenzene

41186-03-2

1-(3-Methylphenyl)piperazine

Conditions
ConditionsYield
With hydrogenchloride for 0.35h; Irradiation;50.3%
25%
110-85-0

piperazine

625-95-6

3-Iodotoluene

41186-03-2

1-(3-Methylphenyl)piperazine

Conditions
ConditionsYield
With potassium dihydrogenphosphate; copper(l) iodide In 1,2-dimethoxyethane; isopropyl alcohol for 18h; Reflux; Inert atmosphere;23%
110-85-0

piperazine

591-17-3

meta-bromotoluene

A

41186-03-2

1-(3-Methylphenyl)piperazine

B

3477-33-6

1,4-bis(3-methylphenyl)piperazine

C

108-88-3

toluene

Conditions
ConditionsYield
With sodium t-butanolate; palladium bis(dibenzylideneacetone)palladium(0); tri-tert-butyl phosphine In o-xylene at 120℃; Yield given. Yields of byproduct given;
638-03-9

m-toluidine hydrochloride

bis-<2-hydroxy-ethyl>-amine hydrochloride

bis-<2-hydroxy-ethyl>-amine hydrochloride

41186-03-2

1-(3-Methylphenyl)piperazine

821-48-7

bis-(2-chloroethyl)amine hydrochloride

108-44-1

1-amino-3-methylbenzene

41186-03-2

1-(3-Methylphenyl)piperazine

Conditions
ConditionsYield
With potassium carbonate In butan-1-ol for 28h; Reflux;
41186-03-2

1-(3-Methylphenyl)piperazine

2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)acetic acid

2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)-1-(4-(m-tolyl)piperazin-1-yl)ethanone

Conditions
ConditionsYield
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%
41186-03-2

1-(3-Methylphenyl)piperazine

methyl (2E)-3-(3-fluoro-2-((((2-methoxy-5-(trifluoromethyl)phenyl)imino)methylene)amino)phenyl)acrylate

{8-fluoro-2-[4-(3-methylphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)-phenyl]-3,4-dihydro-4-quinazolinyl}-acetic acid methyl ester

Conditions
ConditionsYield
In dichloromethane at 20℃; for 21h; Silica gel;95%
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Specification

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%.

Piperazine, 1-(3-methylphenyl)- can be used to produce 1-[2-oxo-2-(4-m-tolyl-piperazin-1-yl)-ethyl]-pyrrolidin-2-one

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