6-(Phenylsulfanyl)-3-pyridinamine

Base Information

• Chemical Name: 6-(Phenylsulfanyl)-3-pyridinamine
• CAS No.: 103983-07-9
• Molecular Formula: C₁₁H₁₀N₂S
• Molecular Weight: 202.28
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50351413
• Wikidata: Q82127813
• ChEMBL ID: CHEMBL1874934
• Mol file: 103983-07-9.mol

Synonyms:6-(phenylsulfanyl)-3-pyridinamine;103983-07-9;6-(phenylthio)pyridin-3-amine;6-phenylsulfanylpyridin-3-amine;6-(phenylsulfanyl)pyridin-3-amine;Maybridge3_005047;MLS001143859;SCHEMBL8866408;CHEMBL1874934;DTXSID50351413;HMS1445F09;HMS2802F14;6-(phenylsulfanyl)-3-pyridinylamine;MFCD03230019;STK060236;AKOS000215477;BE-0762;CCG-247125;IDI1_016434;SMR000473298;CS-0318878;AC-907/34108048;A1-02580;J-518091

Chemical Property of 6-(Phenylsulfanyl)-3-pyridinamine

Chemical Property:

• Melting Point: 118～120℃
• PSA: 64.21000
• LogP: 3.39620
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.05646950
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

6-(Phenylsulfanyl)-3-pyridinamine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=NC=C(C=C2)N

Technology Process of 6-(Phenylsulfanyl)-3-pyridinamine

There total 4 articles about 6-(Phenylsulfanyl)-3-pyridinamine 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: 63.0%

6-Chloro-pyridin-3-ylamine (5350-93-6) + phenylthiotrimethylsilane (4551-15-9) → 6-(phenylthio)pyridin-3-amine (103983-07-9)

Guidance literature:

With tetrabutylammomium bromide; In acetonitrile; at 120 ℃; for 48h; Mechanism; Schlenk technique; Inert atmosphere;

DOI:10.1039/c4gc00535j

Reference yield:

5-nitro-2-phenylsulfanylpyridine (4262-10-6) → 6-(phenylthio)pyridin-3-amine (103983-07-9)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/ja01869a062

Reference yield:

2-chloro-5-nitropyridine (4548-45-2) → 6-(phenylthio)pyridin-3-amine (103983-07-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 135 - 150 °C

2: SnCl₂; aqueous HCl

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/ja01869a062

upstream raw materials:

5-nitro-2-phenylsulfanylpyridine

2-chloro-5-nitropyridine

thiophenol

6-Chloro-pyridin-3-ylamine

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