Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-phenyl-

Base Information

• Chemical Name: Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-phenyl-
• CAS No.: 61889-27-8
• Molecular Formula: C₁₃H₉BrN₂S
• Molecular Weight: 305.198
• DSSTox Substance ID: DTXSID201211286

Synonyms:61889-27-8;Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-phenyl-;DTXSID201211286

Chemical Property of Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-phenyl-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 303.96698
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC2=C1C(=NS2)Br)C3=CC=CC=C3

Technology Process of Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-phenyl-

There total 1 articles about Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-phenyl- 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:

4-methyl-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile (150886-09-2) → 3-bromo-4-methyl-6-phenyl-isothiazolo[5,4-b]pyridine (61889-27-8)

Guidance literature:

With bromine; In ethyl acetate;

Reference yield:

3-bromo-4-methyl-6-phenyl-isothiazolo[5,4-b]pyridine (61889-27-8) → 3-bromo-7-methyl-6-phenyl-4-(4-nitro-phenylazomethylene)-4,7-dihydro-isothiazolo[5,4-b]pyridine (61889-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) , (ii) Mg(ClO₄)2, MeOH

2: H₂O

In water;

Reference yield:

dimethyl sulfate (77-78-1) + 3-bromo-4-methyl-6-phenyl-isothiazolo[5,4-b]pyridine (61889-27-8) → 3-bromo-4,7-dimethyl-6-phenyl-isothiazolo[5,4-b]pyridinium; perchlorate

Guidance literature:

Multistep reaction; (i) , (ii) Mg(ClO₄)2, MeOH;

upstream raw materials:

4-methyl-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Downstream raw materials:

3-bromo-7-methyl-6-phenyl-4-(4-nitro-phenylazomethylene)-4,7-dihydro-isothiazolo[5,4-b]pyridine

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