2-(4-Methylpiperazino)-4'-fluoro-5-nitrobenzophenone

Base Information

• Chemical Name: 2-(4-Methylpiperazino)-4'-fluoro-5-nitrobenzophenone
• CAS No.: 197654-05-0
• Molecular Formula: C₁₈H₁₈FN₃O₃
• Molecular Weight: 343.358
• DSSTox Substance ID: DTXSID201162809
• Nikkaji Number: J882.370G

Synonyms:DTXSID201162809;2-(4-Methylpiperazino)-4'-fluoro-5-nitrobenzophenone;(4-Fluorophenyl)[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methanone;197654-05-0

Chemical Property of 2-(4-Methylpiperazino)-4'-fluoro-5-nitrobenzophenone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 343.13321961
• Heavy Atom Count: 25
• Complexity: 482

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

Technology Process of 2-(4-Methylpiperazino)-4'-fluoro-5-nitrobenzophenone

There total 1 articles about 2-(4-Methylpiperazino)-4'-fluoro-5-nitrobenzophenone 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: 67.0%

1-methyl-piperazine (109-01-3) + (2-chloro-5-nitrophenyl)(4-fluorophenyl)methanone (197653-87-5) → (4-Fluoro-phenyl)-[2-(4-methyl-piperazin-1-yl)-5-nitro-phenyl]-methanone (197654-05-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 4h;

DOI:10.1248/cpb.45.1470

Reference yield: 75.0%

(4-Fluoro-phenyl)-[2-(4-methyl-piperazin-1-yl)-5-nitro-phenyl]-methanone (197654-05-0) → [5-Amino-2-(4-methyl-piperazin-1-yl)-phenyl]-(4-fluoro-phenyl)-methanone (197654-16-3)

Guidance literature:

With tin(ll) chloride; In ethanol; for 0.333333h; Heating;

DOI:10.1248/cpb.45.1470

Reference yield: 59.0%

(4-Fluoro-phenyl)-[2-(4-methyl-piperazin-1-yl)-5-nitro-phenyl]-methanone (197654-05-0) → 1-(4-fluorophenyl)-1-{[2-(4-methyl)-1-piperazinyl]-5-nitrophenyl}methanol

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; at 80 - 90 ℃;

DOI:10.1248/cpb.45.1470

upstream raw materials:

1-methyl-piperazine

(2-chloro-5-nitrophenyl)(4-fluorophenyl)methanone

Downstream raw materials:

[5-Amino-2-(4-methyl-piperazin-1-yl)-phenyl]-(4-fluoro-phenyl)-methanone

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