[4-(4-Methylpiperazin-1-yl)-3-nitrophenyl](phenyl)methanone

Base Information

• Chemical Name: [4-(4-Methylpiperazin-1-yl)-3-nitrophenyl](phenyl)methanone
• CAS No.: 6617-59-0
• Molecular Formula: C₁₅H₂₈O
• Molecular Weight: 224.387
• DSSTox Substance ID: DTXSID50984649
• Wikidata: Q82971932
• ChEMBL ID: CHEMBL1609900
• Mol file: 6617-59-0.mol

Synonyms:[4-(4-methylpiperazin-1-yl)-3-nitrophenyl](phenyl)methanone;6617-59-0;HMS2554E21;Oprea1_431089;MLS000678751;CHEMBL1609900;SCHEMBL11456145;DTXSID50984649;IOIWNQFKYZGKBN-UHFFFAOYSA-N;STK678641;AKOS000914165;SMR000269810;3-nitro-4-(N-methyl-piperazino)-benzophenone;AB00112363-01;SR-01000538526;SR-01000538526-1;Z31193884;[4-(4-methylpiperazino)-3-nitrophenyl](phenyl)methanone;[4-(4-methyl-1-piperazinyl)-3-nitrophenyl](phenyl)methanone

Chemical Property of [4-(4-Methylpiperazin-1-yl)-3-nitrophenyl](phenyl)methanone

Chemical Property:

• Vapor Pressure: 2.89E-10mmHg at 25°C
• Boiling Point: 503.5°Cat760mmHg
• Flash Point: 258.3°C
• Density: 1.238g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 325.14264148
• Heavy Atom Count: 24
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of [4-(4-Methylpiperazin-1-yl)-3-nitrophenyl](phenyl)methanone

There total 9 articles about [4-(4-Methylpiperazin-1-yl)-3-nitrophenyl](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:

elemol (639-99-6) → (-)-Elemanon-8 (6617-59-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Adams catalyst / acetic acid

2: (i) HClO₄, AcOH, (ii) PhCO₃H, CHCl₃, benzene, (iii) BF₃-Et₂O

With hydrogen; platinum(IV) oxide; In acetic acid;

DOI:10.1016/0040-4020(66)80155-2

Reference yield:

(1S,2R,4S,5R)-5-Ethyl-2,4-diisopropyl-5-methyl-cyclohexanol (41370-54-1) → (-)-Elemanon-8 (6617-59-0)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone;

DOI:10.1071/CH9792455

Reference yield:

2-((1R,3S,4S)-3-Isopropyl-4-methyl-4-vinyl-cyclohexyl)-propan-2-ol → (-)-Elemanon-8 (6617-59-0)

Guidance literature:

Multi-step reaction with 2 steps

2: CrO₃, H₂SO₄ / acetone

With chromium(VI) oxide; sulfuric acid; In acetone;

DOI:10.1071/CH9792455

upstream raw materials:

(1S,2R,4S,5R)-5-Ethyl-2,4-diisopropyl-5-methyl-cyclohexanol

(1R)-1r-Methyl-1-aethyl-2c-isopropyl-4c-(α-hydroxy-isopropyl)-cyclohexan

elemol

(+/-)-4r-isopropenyl-2ξ-isopropyl-5c-methyl-5t-vinyl-cyclohexanone