4,5-Dibromo-2-(3,4-difluorophenyl)pyridazin-3(2H)-one

Base Information

• Chemical Name: 4,5-Dibromo-2-(3,4-difluorophenyl)pyridazin-3(2H)-one
• CAS No.: 221031-08-9
• Molecular Formula: C10H4Br2F2N2O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40580013
• Nikkaji Number: J2.389.631A
• Wikidata: Q82470734
• Mol file: 221031-08-9.mol

Synonyms:221031-08-9;4,5-DIBROMO-2-(3,4-DIFLUOROPHENYL)-3(2H)-PYRIDAZINONE;SCHEMBL4191812;4,5-Dibromo-2-(3,4-difluorophenyl)pyridazin-3(2H)-one;DTXSID40580013;RIDNCXXOUTWXDM-UHFFFAOYSA-N;2-(3,4-Difluorophenyl)-4,5-dibromo-3(2H)-pyridazinone

Chemical Property of 4,5-Dibromo-2-(3,4-difluorophenyl)pyridazin-3(2H)-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.656
• Boiling Point: 369.662°C at 760 mmHg
• Flash Point: 177.366°C
• PSA: 34.89000
• Density: 2.029g/cm³
• LogP: 3.03570
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 365.86379
• Heavy Atom Count: 17
• Complexity: 400

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)Br)Br)F)F

Technology Process of 4,5-Dibromo-2-(3,4-difluorophenyl)pyridazin-3(2H)-one

There total 6 articles about 4,5-Dibromo-2-(3,4-difluorophenyl)pyridazin-3(2H)-one 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:

mucobromic acid (766-38-1) + 3,4-difluoroaniline (3863-11-4) → 4,5-dibromo-2-(3,4-difluorophenyl)-2H-pyridazin-3-one (221031-08-9)

Guidance literature:

3,4-difluoroaniline; With hydrogen bromide; sodium nitrite; In water; at -5 - 0 ℃; for 0.5h;

With hydrogen bromide; tin(ll) chloride; In water; at 0 ℃; for 2h;

mucobromic acid; In water; at 80 - 90 ℃;

DOI:10.1016/j.tetlet.2006.10.009

Reference yield:

3,4-difluoroaniline (3863-11-4) → 4,5-dibromo-2-(3,4-difluorophenyl)-2H-pyridazin-3-one (221031-08-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: HCl; NaNO₂ / H₂O

1.2: SnCl₂ / H₂O

2.1: AcOH

With hydrogenchloride; acetic acid; sodium nitrite; In water;

DOI:10.1016/j.tetlet.2006.10.009

Reference yield:

3,4-difluorophenyl hydrazine (161886-22-2) → 4,5-dibromo-2-(3,4-difluorophenyl)-2H-pyridazin-3-one (221031-08-9)

Guidance literature:

upstream raw materials:

mucobromic acid

3,4-difluoroaniline

(3,4-difluorophenyl)phenylhydrazine hydrochloride

3,4-difluorophenyl hydrazine

Downstream raw materials:

(R)-2-(3,4-difluorophenyl)-4-[3-(tert-butyldimethylsiloxy)-1-butoxy]-5-bromo-3(2H)-pyridazinone

ABT-963

2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone