1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine

Base Information

• Chemical Name: 1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine
• CAS No.: 7255-89-2
• Molecular Formula: C18H21N3O2
• Molecular Weight: 311.384
• European Community (EC) Number: 230-675-9
• NSC Number: 74309
• UNII: S38KW7L6HY
• DSSTox Substance ID: DTXSID10222872
• Nikkaji Number: J212.269C
• Wikidata: Q83101222
• ChEMBL ID: CHEMBL1376379
• Mol file: 7255-89-2.mol

Synonyms:1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine;7255-89-2;EINECS 230-675-9;NSC-74309;N-(2-nitrophenyl)-1-(phenylmethyl)-4-piperidinamine;NSC74309;S38KW7L6HY;Oprea1_813039;MLS000860884;SCHEMBL6159635;CHEMBL1376379;DTXSID10222872;HMS2805M11;CCG-50986;NSC 74309;AKOS008568393;1-Benzyl-4-(2-nitroanilino)piperidine;AS-0588;NCGC00246683-01;SMR000459668;Piperidine, 1-benzyl-4-(o-nitroanilino)-;FT-0718983;N4-(2-nitrophenyl)-1-benzylpiperidin-4-amine;N-(1-benzyl-4-piperidinyl)-N-(2-nitrophenyl)amine;N-(2-Nitrophenyl)-1-phenylmethyl-4-piperidinamine;SR-01000640318-1;4-Piperidinamine, N-(2-nitrophenyl)-1-(phenylmethyl)-;F1911-3598

Chemical Property of 1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine

Chemical Property:

• Vapor Pressure: 6.89E-09mmHg at 25°C
• Boiling Point: 466.8°C at 760 mmHg
• PKA: 8.10±0.10(Predicted)
• Flash Point: 236.1°C
• PSA: 61.09000
• Density: 1.232g/cm³
• LogP: 4.20540
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 311.16337692
• Heavy Atom Count: 23
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1NC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Technology Process of 1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine

There total 3 articles about 1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine 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:

4-amino-1-benzylpiperidine (50541-93-0) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → (1-Benzyl-piperidin-4-yl)-(2-nitro-phenyl)-amine (7255-89-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃;

DOI:10.1021/jm010877o

Reference yield:

4-amino-1-benzylpiperidine (50541-93-0) + 2-Chloronitrobenzene (88-73-3) → (1-Benzyl-piperidin-4-yl)-(2-nitro-phenyl)-amine (7255-89-2)

Guidance literature:

With potassium iodide; sodium carbonate; In cyclohexanol;

Reference yield:

→ (1-Benzyl-piperidin-4-yl)-(2-nitro-phenyl)-amine (7255-89-2)

Guidance literature:

Amin, Chlornitrobenzol;

upstream raw materials:

4-amino-1-benzylpiperidine

ortho-nitrofluorobenzene

2-Chloronitrobenzene

Downstream raw materials:

N-(1-benzyl-piperidin-4-yl)-benzene-1,2-diamine

R 4782