1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine

Base Information

• Chemical Name: 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine
• CAS No.: 1692-79-1
• Molecular Formula: C12H13 F3 N2 O2
• Molecular Weight: 274.243
• Hs Code.: 2933399990
• European Community (EC) Number: 671-960-1
• DSSTox Substance ID: DTXSID10379678
• Wikidata: Q82169589
• Mol file: 1692-79-1.mol

Synonyms:1692-79-1;1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine;1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine;N-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine;3-Nitro-4-(piperidin-1-yl)benzotrifluoride;Maybridge1_000620;CBDivE_014171;SCHEMBL1110533;HMS543E04;DTXSID10379678;CCG-41315;MFCD00052908;STK199237;AKOS000425556;AS-9203;SB43115;CS-0316429;FT-0607102;A811081;SR-01000631402-1;W-205990

Chemical Property of 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine

Chemical Property:

• Vapor Pressure: 7.34E-05mmHg at 25°C
• Melting Point: 48-50°C
• Refractive Index: 1.516
• Boiling Point: 342.8°Cat760mmHg
• PKA: 0.86±0.40(Predicted)
• Flash Point: 161.1°C
• PSA: 49.06000
• Density: 1.324g/cm³
• LogP: 4.19210
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 274.09291215
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

98%min ^*data from raw suppliers

1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine

There total 5 articles about 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine 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: 100.0%

piperidine (110-89-4) + 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → 1-(2-nitro-4-(trifluoromethyl)phenyl)piperidine (1692-79-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Product distribution / selectivity;

Reference yield: 100.0%

piperidine (110-89-4) + 2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-(2-nitro-4-(trifluoromethyl)phenyl)piperidine (1692-79-1)

Guidance literature:

In N,N-dimethyl-formamide; at 0 ℃; for 0.666667h; Product distribution / selectivity;

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-(2-nitro-4-(trifluoromethyl)phenyl)piperidine (1692-79-1)

Guidance literature:

With /BRN= 102438/; In benzene; at 25 ℃; Rate constant;

DOI:10.1039/j29680001595

upstream raw materials:

2-chloro-3-nitro-5-trifluoromethylbenzene

piperidine

1-fluoro-2-nitro-4-trifluoromethyl-benzene

2-nitro-1-phenoxy-4-(trifluoromethyl)benzene

Downstream raw materials:

2-(piperidin-1-yl)-5-(trifluoromethyl)benzenamine

3-iodo-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide

2-fluoro-5-iodo-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide

3-iodo-4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide

Refernces

• 1、 Bailey, Brodie L.,Nguyen, William,Ngo, Anna,Goodman, Christopher D.,Gancheva, Maria R.,Favuzza, Paola,Sanz, Laura M.,Gamo, Francisco-Javier,Lowes, Kym N.,McFadden, Geoffrey I.,Wilson, Danny W.,Laleu, Beno?t,Brand, Stephen,Jackson, Paul F.,Cowman, Alan F.,Sleebs, Brad E.. "Optimisation of 2-(N-phenyl carboxamide) triazolopyrimidine antimalarials with moderate to slow acting erythrocytic stage activity". . . Retrieved 2021/08/30.
• 2、 Siqueira, Raoni Pais,Barros, Marcus Vinícius de Andrade,Barbosa, éverton de Almeida Alves,Onofre, Thiago Souza,Gon?alves, Victor Hugo Sousa,Pereira, Higor Sette,Silva Júnior, Abelardo,de Oliveira, Leandro Licursi,Almeida, Márcia Rogéria,Fietto, Juliana Lopes Rangel,Teixeira, Róbson Ricardo,Bressan, Gustavo Costa. "Trifluoromethyl arylamides with antileukemia effect and intracellular inhibitory activity over serine/arginine-rich protein kinases (SRPKs)". . p. 97 - 109. Retrieved 2017/04/13.