(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone

Base Information

• Chemical Name: (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
• CAS No.: 21091-98-5
• Molecular Formula: C12H15N3O3
• Molecular Weight: 249.269
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70352008
• Wikidata: Q82128912
• Mol file: 21091-98-5.mol

Synonyms:(4-methylpiperazin-1-yl)(4-nitrophenyl)methanone;21091-98-5;(4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone;1-methyl-4-[(4-nitrophenyl)carbonyl]piperazine;MFCD00585638;1-Methyl-4-(4-nitrobenzoyl)piperazine;Methanone, (4-methyl-1-piperazinyl)(4-nitrophenyl)-;Oprea1_063180;SCHEMBL110101;SCHEMBL12248114;DTXSID70352008;UMRXCSPRJVBXHH-UHFFFAOYSA-N;STK179280;AKOS002959772;4-methyl-1-(4-nitrobenzoyl)piperazine;SS-4663;CS-0151086;FT-0701449;(4-METHYLPIPERAZINO)(4-NITROPHENYL)METHANONE;1-Methyl-4-(4-nitrobenzoyl)piperazine, AldrichCPR;4-(1-methyl-4-piperazinyl-carbonyl)-1-nitrobenzene;(4-Methyl-piperazin-1-yl)-(4-nitro-phenyl)-methanone

Chemical Property of (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone

Chemical Property:

• Vapor Pressure: 2.16E-07mmHg at 25°C
• Boiling Point: 423.9oC at 760 mmHg
• PKA: 6.59±0.10(Predicted)
• Flash Point: 210.1oC
• PSA: 69.37000
• Density: 1.262g/cm3
• LogP: 1.38140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 249.11134135
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

99%, ^*data from raw suppliers

(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone is a useful reactant for interconversion of amide to thioamide using reusable MCM-?41 mesoporous silica.

Technology Process of (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone

There total 6 articles about (4-Methylpiperazin-1-yl)(4-nitrophenyl)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: 95.0%

1-methyl-piperazine (109-01-3) + 4-nitro-benzoic acid (62-23-7) → (4-methylpiperazin-1-yl)(4-nitrophenyl)methanone (21091-98-5)

Guidance literature:

With ethylene dichloride hydrochloride; benzotriazol-1-ol; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield: 92.0%

1-methyl-piperazine (109-01-3) + 4-nitro-benzoyl chloride (122-04-3) → (4-methylpiperazin-1-yl)(4-nitrophenyl)methanone (21091-98-5)

Guidance literature:

1-methyl-piperazine; 4-nitro-benzoyl chloride; In dichloromethane; at 0 ℃; for 1.16667h; Inert atmosphere;

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 82.0%

1-methyl-piperazine (109-01-3) + 4-nitro-benzoyl chloride (122-04-3) → (4-(4-(3-chloro-4-fluorophenylamino)pyrimidin-2-ylamino)phenyl)(4-methyl piperazin-1-yl)methanone + (4-methylpiperazin-1-yl)(4-nitrophenyl)methanone (21091-98-5)

Guidance literature:

With triethanolamine; In acetonitrile;

upstream raw materials:

1-methyl-piperazine

4-nitro-benzoyl chloride

4-nitro-benzoic acid

4-bromo-2-fluoroaniline

Downstream raw materials:

(4-aminophenyl)(4-methylpiperazin-1-yl)methanone

(4-(6-chloro-2-methoxyacridin-9-ylamino)phenyl)(4-methylpiperazin-1-yl)methanone

1-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea

1-(4-bromo-phenyl)-3-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-urea

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