Tinazoline

Base Information

• Chemical Name: Tinazoline
• CAS No.: 62882-99-9
• Molecular Formula: C₁₁H₁₁N₃S
• Molecular Weight: 217.294
• UNII: 88174AK70T
• DSSTox Substance ID: DTXSID90866955
• Nikkaji Number: J19.671A
• Wikidata: Q27269870
• NCI Thesaurus Code: C75057
• ChEMBL ID: CHEMBL2107015
• Mol file: 62882-99-9.mol

Synonyms:3-(2-imidazolin-2-yl-thio)indole;4,5-dihydro-2-(3-indolyl)mercaptoimidazole;Go 7996B;tinazoline;tinazoline monohydrochloride;Varsyl

Chemical Property of Tinazoline

Chemical Property:

• Vapor Pressure: 7.39E-08mmHg at 25°C
• Boiling Point: 437.6°C at 760 mmHg
• Flash Point: 218.4°C
• PSA: 65.48000
• Density: 1.42g/cm³
• LogP: 1.98360
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.06736854
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)SC2=CNC3=CC=CC=C32
• Description: Tinazoline is a potent, long-acting vasoconstrictor useful as a nasal decongestant.

Technology Process of Tinazoline

There total 3 articles about Tinazoline 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:

3-(2-imidazolin-2-ylthio)-indole hydriodide (55107-59-0) → 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-indole (62882-99-9)

Guidance literature:

With sodium hydroxide; In dichloromethane; water;

Reference yield:

indole (120-72-9) → 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-indole (62882-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / Iodine, potassium iodide / methanol; H₂O / 2 h / Ambient temperature

2: 10percent aq. NaOH / H₂O; CH₂Cl₂

With sodium hydroxide; iodine; potassium iodide; In methanol; dichloromethane; water;

Reference yield:

→ 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-indole (62882-99-9)

Guidance literature:

aus Indol;

upstream raw materials:

3-(2-imidazolin-2-ylthio)-indole hydriodide

indole

Downstream raw materials:

3-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole; hydrochloride

Refernces