1-Methyl-4-phenylpiperazine

Base Information

• Chemical Name: 1-Methyl-4-phenylpiperazine
• CAS No.: 3074-43-9
• Molecular Formula: C11H16 N2
• Molecular Weight: 176.261
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90184762
• Nikkaji Number: J554.351G
• Wikidata: Q72495111
• ChEMBL ID: CHEMBL171789
• Mol file: 3074-43-9.mol

Synonyms:1-Methyl-4-phenylpiperazine;3074-43-9;Piperazine, 1-methyl-4-phenyl-;A 1390;BRN 0145646;5-23-01-00171 (Beilstein Handbook Reference);1-methyl-4-phenyl-piperazine;1-Phenyl-4-methylpiperazine;SCHEMBL149502;CHEMBL171789;N-phenyl-N'-(methyl)piperazine;SCHEMBL10749500;DTXSID90184762;MFCD00086963;AKOS006227944;AB92337;LS-112931;CS-0327979;FT-0769148;SR-01000473493;J-018094;SR-01000473493-1

Chemical Property of 1-Methyl-4-phenylpiperazine

Chemical Property:

• Vapor Pressure: 0.00769mmHg at 25°C
• Refractive Index: 1.5760 (estimate)
• Boiling Point: 268.4 °C at 760 mmHg
• Flash Point: 109.4 °C
• PSA: 6.48000
• Density: 1.02 g/cm³
• LogP: 1.44130
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-4-phenylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC=CC=C2
• Uses: 1-Methyl-4-phenylpiperazine is used in preparation of Phenyl-1,5-anhydro-β-D-glucitol derivatives for treatment of diabetes.

Technology Process of 1-Methyl-4-phenylpiperazine

There total 37 articles about 1-Methyl-4-phenylpiperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-methyl-piperazine (109-01-3) + chlorobenzene (108-90-7) → 1-methyl-4-phenylpiperazine (3074-43-9)

Guidance literature:

With Pd-PEPPSI-IPr^An; potassium tert-butylate; In 1,4-dioxane; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c1cc15503b

Reference yield: 93.0%

1-methyl-piperazine (109-01-3) + iodobenzene (591-50-4) → 1-methyl-4-phenylpiperazine (3074-43-9)

Guidance literature:

With sodium t-butanolate; In dimethyl sulfoxide; at 110 ℃; for 12h;

DOI:10.1039/c4ra08726g

Reference yield: 93.0%

1-methyl-piperazine (109-01-3) + fluorobenzene (462-06-6) → 1-methyl-4-phenylpiperazine (3074-43-9)

Guidance literature:

1-methyl-piperazine; With n-butyllithium; In tetrahydrofuran; hexane; at 25 ℃; for 0.166667h; Inert atmosphere;

fluorobenzene; In tetrahydrofuran; hexane; at 25 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tet.2017.01.050

upstream raw materials:

1-methyl-piperazine

aniline hydrochloride

formaldehyd

4-phenyl-1-piperazine

Downstream raw materials:

1-methyl-piperazine

1,1-dimethyl-4-phenylpiperazinium iodide

trimethyl(1-methyl-4-phenylpiperazine-N⁽¹⁾)aluminium

4-(4-methylpiperazin-1-yl) benzaldehyde

Refernces

• 1、 Reinhardt, Katja,Koller, Sebastian,Klein, Philippe,Lossin, Corvin,Gatzka, Julia,Altmann, Philipp J.,P?thig, Alexander,Hintermann, Lukas. "Dimenthylphosphine P-Oxide as a Synthetic Platform for Bulky and Chiral Ligands with Dimenthylphosphino Donor Groups". . p. 1 - 19. Retrieved 2022/01/12.
• 2、 Lo, Quintin A.,Sale, David,Braddock, D. Christopher,Davies, Robert P.. "New Insights into the Reaction Capabilities of Ionic Organic Bases in Cu-Catalyzed Amination". . p. 1944 - 1951. Retrieved 2019/02/19.