1,6-Dichlorophthalazine

Base Information

• Chemical Name: 1,6-Dichlorophthalazine
• CAS No.: 124556-78-1
• Molecular Formula: C₈H₄Cl₂N₂
• Molecular Weight: 199.039
• DSSTox Substance ID: DTXSID80558892
• Nikkaji Number: J2.822.881C
• Wikidata: Q82441359
• Mol file: 124556-78-1.mol

Synonyms:1,6-dichlorophthalazine;124556-78-1;1,6-DICHLORO-PHTHALAZINE;Phthalazine, 1,6-dichloro-;SCHEMBL398775;DTXSID80558892;LXAZDQHYBIRAMT-UHFFFAOYSA-N;ZEA55678;MFCD12400849;AKOS024261022;PB19262;AS-50909;CS-0053879;P11442;EN300-7352526;A925949;Z1255424807

Chemical Property of 1,6-Dichlorophthalazine

Chemical Property:

• Melting Point: 150-151 °C (decomp)
• Boiling Point: 397.3±22.0 °C(Predicted)
• PKA: 0.80±0.30(Predicted)
• Density: 1.486±0.06 g/cm3(Predicted)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.9751535
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

1,6-Dichlorophthalazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=NC=C2C=C1Cl)Cl

Technology Process of 1,6-Dichlorophthalazine

There total 3 articles about 1,6-Dichlorophthalazine 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: 97.0%

6-chlorophthalazine-1(2H)-one (57835-96-8) → 1,6-dichlorophthalazine (124556-78-1)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 0.333333h;

Reference yield: 81.0%

6-chlorophthalazin-1-ol (57835-96-8) → 1,6-dichlorophthalazine (124556-78-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; at 25 - 100 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1219231

Reference yield:

4-chloro-2-formylbenzoic acid (4657-56-1) → 1,6-dichlorophthalazine (124556-78-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous N₂H₄

2: POCl₃

With hydrazine hydrate; trichlorophosphate;

DOI:10.1021/ja01211a063

upstream raw materials:

6-chlorophthalazine-1(2H)-one

4-chloro-2-formylbenzoic acid

6-chlorophthalazin-1-ol

Downstream raw materials:

8-Chloro-2-[3-(4-phenyl-piperazin-1-yl)-propyl]-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one

8-Chloro-2-{3-[4-(3-chloro-phenyl)-piperazin-1-yl]-propyl}-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one

6-chloro-1-(4-methylphenyl)phthalazine

4-chloro-phthalonitrile