2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene
• CAS No.: 389084-12-2
• Molecular Formula: C₁₂H₇F₃N₂O₂S
• Molecular Weight: 300.261
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70351278
• Wikidata: Q82127567
• ChEMBL ID: CHEMBL1567675
• Mol file: 389084-12-2.mol

Synonyms:389084-12-2;2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene;2-((2-Nitro-4-(trifluoromethyl)phenyl)thio)pyridine;2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpyridine;2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}pyridine;2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}pyridine;HMS2514C12;SBB055231;SMR000194201;CBMicro_047158;MLS000572240;CHEMBL1567675;DTXSID70351278;HMS3375E21;MFCD00170742;AKOS001624006;MS-6588;BIM-0047286.P001;CS-0332460;2-(2-nitro-4-(trifluoromethyl)phenylthio)pyridine;SR-01000451282;SR-01000451282-1

Chemical Property of 2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene

Chemical Property:

• Melting Point: 90-92°C
• PSA: 84.01000
• LogP: 4.68300
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 300.01803313
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

99%+ ^*data from raw suppliers

2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene 95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of 2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene

There total 2 articles about 2-Nitro-1-(2-pyridylthio)-4-(trifluoromethyl)benzene 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: 99.9%

2-Sulfanylpyridine (2637-34-5,73018-10-7) + 1-bromo-4-trifluoromethyl-2-nitrobenzene (349-03-1) → 2-nitro-4-trifluoromethylphenyl 2-pyridinyl sulfide (389084-12-2)

Guidance literature:

With copper(l) iodide; (S,S)-1,2-diaminocyclohexane; In water; at 120 ℃;

DOI:10.1002/chem.200601737

Reference yield: 86.0%

2-Sulfanylpyridine (2637-34-5,73018-10-7) + 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → 2-nitro-4-trifluoromethylphenyl 2-pyridinyl sulfide (389084-12-2)

Guidance literature:

With copper(ll) sulfate pentahydrate; sodium carbonate; sodium L-ascorbate; L-proline; In water; dimethyl sulfoxide; at 70 ℃; for 12h;

DOI:10.1016/j.tet.2010.07.032

upstream raw materials:

2-Sulfanylpyridine

1-bromo-4-trifluoromethyl-2-nitrobenzene

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