Isomazole

Base Information

• Chemical Name: Isomazole
• CAS No.: 86315-52-8
• Molecular Formula: C14H13 N3 O2 S
• Molecular Weight: 287.342
• Hs Code.: 2933990090
• UNII: L8O2GV23DC
• DSSTox Substance ID: DTXSID3020754
• Nikkaji Number: J34.732I
• Wikidata: Q27163512
• NCI Thesaurus Code: C175804
• ChEMBL ID: CHEMBL2110680
• Mol file: 86315-52-8.mol

Synonyms:2-((2-methoxy-4-methylsulfinyl)phenyl)-H-imidazo(4,5-b)pyridine;AR-L 115 BS;AR-L115;BW A746C;BWA746C;isomazole;LY 175326;LY-175326;LY175326;MG 28734;MG-28734;sulmazol;sulmazole;Vardax

Chemical Property of Isomazole

Chemical Property:

• PSA: 87.08000
• LogP: 3.23660
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 287.07284784
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3
• Uses: Cardiotonic.

Technology Process of Isomazole

There total 3 articles about Isomazole 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: 51.0%

→ isomazole (86315-52-8)

Guidance literature:

Reference yield:

2-(2-methoxy-4-methylthiophenyl)-1H-imidazo[4,5-c]pyridine dihydrochloride → isomazole (86315-52-8)

Guidance literature:

With sodium chloride; dihydrogen peroxide; bromine; sodium acetate; In water; acetic acid;

Reference yield:

2-[2-methoxy-4-(methylsulfenyl)phenyl]imidazo[4,5-c]pyridine (87359-45-3) → Isomazole (86315-52-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In ethanol; chloroform; at -40 - -30 ℃; for 3h;

DOI:10.1021/jm00383a006

upstream raw materials:

2-[2-methoxy-4-(methylsulfenyl)phenyl]imidazo[4,5-c]pyridine