6-Bromophthalazine-1,4-diol

Base Information

• Chemical Name: 6-Bromophthalazine-1,4-diol
• CAS No.: 76240-49-8
• Molecular Formula: C8H5BrN2O2
• Molecular Weight: 241.044
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80464085
• Wikidata: Q82289274
• Mol file: 76240-49-8.mol

Synonyms:6-Bromophthalazine-1,4-diol;76240-49-8;6-bromo-2,3-dihydrophthalazine-1,4-dione;MFCD00094997;6-bromo-phthalazine-1,4-diol;SCHEMBL2457623;SCHEMBL26732566;DTXSID80464085;UFWQSROUAIPXQJ-UHFFFAOYSA-N;AKOS015919520;PB48891;AS-59041;SY116584;6-Bromo-2,3-dihydro-phthalazine-1,4-dione;CS-0135325;A23420;EN300-260464;O11564;Z1269225487

Chemical Property of 6-Bromophthalazine-1,4-diol

Chemical Property:

• PKA: 9.87±0.20(Predicted)
• PSA: 66.24000
• Density: 1.752±0.06 g/cm3(Predicted)
• LogP: 1.80350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.95344
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

1(2H)-PHTHALAZINE,7-BROMO-4-HYDROXY 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)NNC2=O

Technology Process of 6-Bromophthalazine-1,4-diol

There total 2 articles about 6-Bromophthalazine-1,4-diol 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: 100.0%

4-bromophthalic anhydride (86-90-8) → 6-bromo-2,3-dihydrophthalazine-1,4-dione (76240-49-8)

Guidance literature:

4-bromophthalic anhydride; With acetic acid; at 125 ℃; for 1h;

With hydrazine hydrate; at 125 ℃; for 0.5h;

Reference yield:

→ 6-bromo-2,3-dihydrophthalazine-1,4-dione (76240-49-8)

Guidance literature:

analog 5-Brom-2,3-dihydro-phthalazin-1,4-dion;

DOI:10.1039/jr9390000836

Reference yield: 85.0%

6-bromo-2,3-dihydrophthalazine-1,4-dione (76240-49-8) + 1,3-cylohexanedione (504-02-9) + benzaldehyde (100-52-7) → 8-bromo-13-phenyl-3,4-dihydro-1H-indazolo[2,1-b]phthalazine-1,6,11(2H,13H)-trione (1366408-04-9)

Guidance literature:

With (S)-1-(trifluoroacetyl)pyrrolidine-2-carboxylic acid; at 80 ℃; for 3h; neat (no solvent);

DOI:10.3184/174751912X13251821462738

upstream raw materials:

4-bromophthalic anhydride

Downstream raw materials:

6-bromo-2,3-bis(4-methoxybenzyl)-2,3-dihydrophthalazine-1,4-dione

6-bromo-1,4-dichloro-phthalazine

6-bromo-4-chlorophthalazin-1(2H)-one

7-bromo-4-chloro-2H-phthalazin-1-one