3-Bromoisothiazolo[3,4-b]pyridine

Base Information

• Chemical Name: 3-Bromoisothiazolo[3,4-b]pyridine
• CAS No.: 42242-08-0
• Molecular Formula: C6H3BrN2S
• Molecular Weight: 215.0704
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60590255
• Wikidata: Q82483989
• Mol file: 42242-08-0.mol

Synonyms:3-Bromoisothiazolo[3,4-b]pyridine;42242-08-0;3-Bromo-isothiazolo[3,4-b]pyridine;3-bromo-[1,2]thiazolo[3,4-b]pyridine;SCHEMBL8805116;DTXSID60590255;AKOS015969159;SB37135;3-Bromo[1,2]thiazolo[3,4-b]pyridine;DB-070275;CS-0452335

Chemical Property of 3-Bromoisothiazolo[3,4-b]pyridine

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Refractive Index: 1.733
• Boiling Point: 300.9 °C at 760 mmHg
• Flash Point: 135.8 °C
• PSA: 54.02000
• Density: 1.859 g/cm³
• LogP: 2.45380
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.92003
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-isothiazolo[3,4-b]pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(SN=C2N=C1)Br

Technology Process of 3-Bromoisothiazolo[3,4-b]pyridine

There total 2 articles about 3-Bromoisothiazolo[3,4-b]pyridine 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:

isothiazolo[3,4-b]pyridin-3-amine (42242-06-8) → 3-bromoisothiazolo[3,4-b]pyridine (42242-08-0)

Guidance literature:

With hydrogen bromide; sodium nitrite;

DOI:10.1139/v73-262

Reference yield:

2-aminopyridine-3-carbothioamide (42242-05-7) → 3-bromoisothiazolo[3,4-b]pyridine (42242-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂O₂, Py

2: aq. HBr, NaNO₂

With pyridine; hydrogen bromide; dihydrogen peroxide; sodium nitrite;

DOI:10.1139/v73-262

upstream raw materials:

isothiazolo[3,4-b]pyridin-3-amine

2-aminopyridine-3-carbothioamide