6-Bromophthalazine

Base Information

• Chemical Name: 6-Bromophthalazine
• CAS No.: 19064-74-5
• Molecular Formula: C8H5BrN2
• Molecular Weight: 209.045
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20346215
• Nikkaji Number: J101.787J
• Wikidata: Q82119117
• Mol file: 19064-74-5.mol

Synonyms:6-Bromophthalazine;19064-74-5;6-Bromo-phthalazine;Phthalazine, 6-bromo-;MFCD08706238;6-Bromophthalazine #;Phthalazine,6-bromo-;SCHEMBL1543521;AMY1707;DTXSID20346215;BCP20560;AKOS015910925;CS-W006073;GS-3818;PB16069;FT-0684841;A813423;W-206406

Chemical Property of 6-Bromophthalazine

Chemical Property:

• Melting Point: 110 °C
• Boiling Point: 387.3 °C at 760 mmHg
• PKA: 2.21±0.30(Predicted)
• Flash Point: 188 °C
• PSA: 25.78000
• Density: 1.656 g/cm³
• LogP: 2.39230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.96361
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Bromophthalazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CN=NC=C2C=C1Br
• Uses: 6-Bromophthalazine is a derivative of phthalazine (P382500). Phthalazine is a heterocyclic organic compound isomeric with quinoxaline, cinnoline and quinazoline. Aminophthalazine compounds serve as effective phosphodiesterase (PDE) inhibitors.

Technology Process of 6-Bromophthalazine

There total 4 articles about 6-Bromophthalazine 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: 74.6%

C8H9BrN2*2ClH → 6-bromophthalazine (19064-74-5)

Guidance literature:

With triethylamine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 0 - 20 ℃; for 18h;

Reference yield: 35.0%

N-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-N'-[1-(4-bromo-phenyl)-meth-(E)-ylidene]-hydrazine (1083040-98-5) → bromobenzene (108-86-1,52753-63-6) + 6-bromophthalazine (19064-74-5)

Guidance literature:

With aluminium trichloride; at 170 - 200 ℃;

DOI:10.1016/0040-4039(81)80093-7

Reference yield:

(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine (41097-38-5) → 6-bromophthalazine (19064-74-5) + 5-bromophthalazine (103119-78-4)

Guidance literature:

(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine; With aluminum (III) chloride; aluminum tri-bromide; at 190 ℃; for 1h;

With hydrogenchloride; In water;

With potassium hydroxide; In water;

upstream raw materials:

N-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-N'-[1-(4-bromo-phenyl)-meth-(E)-ylidene]-hydrazine

4-bromophthalaldehyde

(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine

Downstream raw materials:

N-(2-chloro-5-(6-phthalazinyl)-3-pyridinyl)-4-fluorobenzenesulfonamide

Refernces

• 1、 -. "INHIBITORS OF PI3 KINASE". Page/Page column 102. . Retrieved 2010/01/12.
• 2、 -. "Trifluoromethyl substituted benzamides as kinase inhibitors". Page/Page column 22. . Retrieved 2008/06/13.