1-methyl-N-(4-nitrophenoxy)piperidin-4-imine

Base Information

• Chemical Name: 1-methyl-N-(4-nitrophenoxy)piperidin-4-imine
• CAS No.: 30417-87-9
• Molecular Formula: C12H15N3O3
• Molecular Weight: 249.269
• DSSTox Substance ID: DTXSID80354492
• ChEMBL ID: CHEMBL1481074
• Mol file: 30417-87-9.mol

Synonyms:1-methyl-N-(4-nitrophenoxy)piperidin-4-imine;30417-87-9;MLS000711846;CHEMBL1481074;SCHEMBL19252867;DTXSID80354492;HMS2639I10;HMS3361A11;AKOS000541188;SMR000281613;1-methyl-4-piperidinone O-{4-nitrophenyl}oxime;AH-262/02649045

Chemical Property of 1-methyl-N-(4-nitrophenoxy)piperidin-4-imine

Chemical Property:

• PSA: 70.65000
• LogP: 2.51630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 249.11134135
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=NOC2=CC=C(C=C2)[N+](=O)[O-])CC1

Technology Process of 1-methyl-N-(4-nitrophenoxy)piperidin-4-imine

There total 2 articles about 1-methyl-N-(4-nitrophenoxy)piperidin-4-imine 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: 77.0%

1-methylpiperidin-4-one oxime (1515-27-1) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-methylpiperidin-4-one O-(4-nitrophenyl)oxime (30417-87-9)

Guidance literature:

1-methylpiperidin-4-one oxime; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 0.5h;

4-Fluoronitrobenzene; With 18-crown-6 ether; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 4h;

Reference yield:

→ 1-methylpiperidin-4-one O-(4-nitrophenyl)oxime (30417-87-9)

Guidance literature:

Oxim (Ia), 4-Nitrochlorbenzol (IIa);

DOI:10.1007/BF00481097

Reference yield:

1-methylpiperidin-4-one O-(4-nitrophenyl)oxime (30417-87-9) → 1-benzyl-N-(2-methyl-1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridin-8-yl)-1H-pyrazole-4-carboxamide

Guidance literature:

Multi-step reaction with 3 steps

1: polyphosphoric acid / 3 h / 80 - 100 °C

2: hydrazine hydrate / methanol / 20 °C / Reflux

3: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 16 h / 20 °C

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; hydrazine hydrate; triethylamine; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

1-methylpiperidin-4-one oxime

4-Fluoronitrobenzene

Refernces