6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-((phenylamino)thioxomethyl)hydrazide

Base Information

• Chemical Name: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-((phenylamino)thioxomethyl)hydrazide
• CAS No.: 109322-16-9
• Molecular Formula: C₂₃H₁₇BrN₆OS
• Molecular Weight: 505.398
• DSSTox Substance ID: DTXSID10148881
• Wikidata: Q83014538
• Mol file: 109322-16-9.mol

Synonyms:BRN 5667448;6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-((phenylamino)thioxomethyl)hydrazide;109322-16-9;9-Bromo-6H-indolo(2,3-b)quinoxaline-6-acetic acid 2-((phenylamino)thioxomethyl)hydrazide;C23H17BrN6OS;DTXSID10148881;LS-83928

Chemical Property of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-((phenylamino)thioxomethyl)hydrazide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.61g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 504.03679
• Heavy Atom Count: 32
• Complexity: 691

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42

Technology Process of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-((phenylamino)thioxomethyl)hydrazide

There total 3 articles about 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-((phenylamino)thioxomethyl)hydrazide 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: 70.0%

phenyl isothiocyanate (103-72-0) + 2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetohydrazide (109321-98-4) → C23H17BrN6OS (109322-16-9)

Guidance literature:

In ethanol; for 1h; Heating;

Reference yield:

ethyl 2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetate (109321-96-2) → C23H17BrN6OS (109322-16-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / hydrazine hydrate / ethanol / 6 h / Heating

2: 70 percent / ethanol / 1 h / Heating

With hydrazine hydrate; In ethanol;

Reference yield:

9-bromo-6H-Indolo[2,3-b]quinoxaline (57743-36-9) → C23H17BrN6OS (109322-16-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / K₂CO₃ / acetone / 20 h / Heating

2: 95 percent / hydrazine hydrate / ethanol / 6 h / Heating

3: 70 percent / ethanol / 1 h / Heating

With potassium carbonate; hydrazine hydrate; In ethanol; acetone;

upstream raw materials:

phenyl isothiocyanate

2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetohydrazide

ethyl 2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetate

9-bromo-6H-Indolo[2,3-b]quinoxaline

Downstream raw materials:

5-(9-Bromo-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol

Refernces