(3-Methyl-piperazin-1-YL)-phenyl-methanone

Base Information

• Chemical Name: (3-Methyl-piperazin-1-YL)-phenyl-methanone
• CAS No.: 75349-23-4
• Molecular Formula: C12H16N2O
• Molecular Weight: 204.272
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60444007
• Nikkaji Number: J966.486F
• Mol file: 75349-23-4.mol

Synonyms:75349-23-4;(3-METHYL-PIPERAZIN-1-YL)-PHENYL-METHANONE;1-BENZOYL-3-METHYLPIPERAZINE;(3-Methylpiperazin-1-yl)(phenyl)methanone;(3-methylpiperazin-1-yl)-phenylmethanone;474010-81-6;(3R)-(3-methyl-piperazin-1-yl)-phenyl-methanone;SCHEMBL1090206;DTXSID60444007;BCXBBYDLRSJZTE-UHFFFAOYSA-N;MFCD07368266;AKOS009462960;AB31556;MB04462;SB17849;(3-methylpiperazin-1-yl)phenylmethanone;AS-11253;CC1CN(CCN1)C(=O)C1=CC=CC=C1;FT-0695388;EN300-719184;A917772;455331-56-3

Chemical Property of (3-Methyl-piperazin-1-YL)-phenyl-methanone

Chemical Property:

• Boiling Point: 345.326 °C at 760 mmHg
• Flash Point: 162.648 °C
• PSA: 32.34000
• Density: 1.072 g/cm³
• LogP: 1.38720
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

1-benzoyl-3-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(=O)C2=CC=CC=C2

Technology Process of (3-Methyl-piperazin-1-YL)-phenyl-methanone

There total 11 articles about (3-Methyl-piperazin-1-YL)-phenyl-methanone 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: 94.0%

(RS)-2-methylpiperazine (109-07-9) + 2-chloro-N,N-dibenzoylaniline (213327-29-8) → (+/-)-(3-methylpiperazin-1-yl)phenylmethanone (75349-23-4)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 36h;

DOI:10.1248/cpb.46.1217

Reference yield: 93.0%

(RS)-2-methylpiperazine (109-07-9) + N-benzoyl-N-(2-fluorophenyl)methanesulfonamide (215657-47-9) → (+/-)-(3-methylpiperazin-1-yl)phenylmethanone (75349-23-4)

Guidance literature:

In tetrahydrofuran; 1.) 0 deg C, 24 h, 2.) r.t., 12 h;

DOI:10.1039/a806186f

Reference yield: 90.0%

(RS)-2-methylpiperazine (109-07-9) + N-benzoyl-N-(2,3,4,5,6-pentafluorophenyl)methanesulfonamide (300561-20-0) → (+/-)-(3-methylpiperazin-1-yl)phenylmethanone (75349-23-4)

Guidance literature:

at 0 ℃; for 18h;

DOI:10.1016/S0040-4020(00)00549-4

upstream raw materials:

(RS)-2-methylpiperazine

benzoic acid anhydride

N-benzoyl-N-(2-fluorophenyl)methanesulfonamide

2-chloro-N,N-dibenzoylaniline

Downstream raw materials:

[4-(5-bromo-thiophene-2-sulfonyl)-3-methyl-piperazin-1-yl]-phenyl-methanone

[4-(3-bromo-benzenesulfonyl)-3-methyl-piperazin-1-yl]-phenyl-methanone

C₂₂H₂₀N₄O₅

(+/-)-[4-(7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl)-3-methylpiperazin-1-yl]phenylmethanone