Pyridine, 2-[[(4-methoxyphenyl)methyl]thio]-3-nitro-

Base Information

• Chemical Name: Pyridine, 2-[[(4-methoxyphenyl)methyl]thio]-3-nitro-
• CAS No.: 153815-22-6
• Molecular Formula: C13H12N2O3S
• Molecular Weight: 276.316
• DSSTox Substance ID: DTXSID60453159
• Wikidata: Q82274203
• Mol file: 153815-22-6.mol

Synonyms:Pyridine, 2-[[(4-methoxyphenyl)methyl]thio]-3-nitro-;153815-22-6;SCHEMBL5795803;DTXSID60453159

Chemical Property of Pyridine, 2-[[(4-methoxyphenyl)methyl]thio]-3-nitro-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 276.05686342
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CSC2=C(C=CC=N2)[N+](=O)[O-]

Technology Process of Pyridine, 2-[[(4-methoxyphenyl)methyl]thio]-3-nitro-

There total 2 articles about Pyridine, 2-[[(4-methoxyphenyl)methyl]thio]-3-nitro- 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: 93.0%

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) + p-methoxybenzylmercaptan (6258-60-2) → 4-methoxybenzyl 3-nitro-2-pyridyl sulfide (153815-22-6)

Guidance literature:

With TEA; In methanol; for 4h; Heating;

DOI:10.1055/s-1994-25394

Reference yield: 88.0%

→ 4-methoxybenzyl 3-nitro-2-pyridyl sulfide (153815-22-6)

Guidance literature:

Reference yield:

4-methoxybenzyl 3-nitro-2-pyridyl sulfide (153815-22-6) → N-(((9H-fluoren-9-yl)methoxy)carbonyl)-S-((3-nitropyridin-2-yl)thio)-L-cysteine (82176-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SO₂Cl₂ / CH₂Cl₂ / 0.33 h

2: 86 percent / CH₂Cl₂

With sulfuryl dichloride; In dichloromethane;

DOI:10.1055/s-1994-25394

upstream raw materials:

2-Chloro-3-nitropyridine

p-methoxybenzylmercaptan

Downstream raw materials:

3-nitro-2-pyridinesulfenyl chloride

N-(((9H-fluoren-9-yl)methoxy)carbonyl)-S-((3-nitropyridin-2-yl)thio)-L-cysteine

Boc-D-Pen(Npys)-OH