tert-Butyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate
• CAS No.: 87120-73-8
• Molecular Formula: C16H23 N3 O4
• Molecular Weight: 321.376
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10464553
• Nikkaji Number: J2.333.613H
• Mol file: 87120-73-8.mol

Synonyms:87120-73-8;tert-Butyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate;tert-Butyl 4-(2-nitrophenylamino)piperidine-1-carboxylate;tert-butyl 4-(2-nitroanilino)piperidine-1-carboxylate;1-Boc-4-[(2-nitrophenyl)amino]piperidine;4-(2-Nitro-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester;SCHEMBL3998307;DTXSID10464553;FOMQBPGBFQWLBY-UHFFFAOYSA-N;AB8801;MFCD11849749;AKOS022175376;AB91577;KS-5403;CS-0322189;FT-0646629;t-butyl 4-[(2-nitrophenyl)amino]-1-piperidinecarboxylate;tert-Butyl4-((2-nitrophenyl)amino)piperidine-1-carboxylate;TERT-BUTYL 4-(2-NITROPHENYLAMINO) PIPERIDINE-1-CARBOXYLATE;1-Piperidinecarboxylicacid,4-[(2-nitrophenyl)amino]-,1,1-dimethylethyl ester

Chemical Property of tert-Butyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.02E-08mmHg at 25°C
• Boiling Point: 462.1oC at 760 mmHg
• Flash Point: 233.3oC
• PSA: 87.39000
• Density: 1.229g/cm3
• LogP: 3.94030
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 321.16885622
• Heavy Atom Count: 23
• Complexity: 422

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl4-((2-nitrophenyl)amino)piperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2[N+](=O)[O-]

Technology Process of tert-Butyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate

There total 2 articles about tert-Butyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate 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: 97.0%

1-(tert-butoxycarbonyl)-4-aminopiperidine (87120-72-7) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → tert‐butyl 4‐((2‐nitrophenyl)amino)piperidine‐1‐carboxylate (87120-73-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 110 ℃;

DOI:10.1021/acs.jmedchem.9b01670

Reference yield: 58.0%

1-(tert-butoxycarbonyl)-4-aminopiperidine (87120-72-7) + 2-Chloronitrobenzene (88-73-3) → tert‐butyl 4‐((2‐nitrophenyl)amino)piperidine‐1‐carboxylate (87120-73-8)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

DOI:10.1002/jhet.5570200315

Reference yield: 99.0%

tert‐butyl 4‐((2‐nitrophenyl)amino)piperidine‐1‐carboxylate (87120-73-8) → tert‐butyl 4‐((2‐aminophenyl)amino)piperidine‐1‐carboxylate (79099-00-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol;

DOI:10.3390/molecules26133975

upstream raw materials:

1-(tert-butoxycarbonyl)-4-aminopiperidine

2-Chloronitrobenzene

ortho-nitrofluorobenzene

Downstream raw materials:

tert‐butyl 4‐((2‐aminophenyl)amino)piperidine‐1‐carboxylate

1-t-butoxycarbonyl-4-<2-(methylthiocyanoiminomethylamino)phenyl>aminopiperidine

1-{1-[2-(3,4-Dimethoxy-phenyl)-2-oxo-ethyl]-piperidin-4-yl}-1H-benzoimidazol-2-yl-cyanamide

1-{1-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-ethyl]-piperidin-4-yl}-1H-benzoimidazol-2-yl-cyanamide

Refernces

• 1、 Bertinaria, Massimo,Blua, Federica,Boscaro, Valentina,Gallicchio, Margherita,Gastaldi, Simone,Gianquinto, Eleonora,Giorgis, Marta,Macdonald, Justin A.,Marini, Elisabetta,Sandall, Christina F.,Spyrakis, Francesca. "Chemical modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazole-2-one scaffold as a novel NLRP3 inhibitor". . . Retrieved 2021/07/13.
• 2、 Kennedy, Nicole M.,Schmid, Cullen L.,Ross, Nicolette C.,Lovell, Kimberly M.,Yue, Zhizhou,Chen, Yen Ting,Cameron, Michael D.,Bohn, Laura M.,Bannister, Thomas D.. "Optimization of a Series of Mu Opioid Receptor (MOR) Agonists with High G Protein Signaling Bias". . p. 8895 - 8907. Retrieved 2018/10/05.