4-chlorophthalazin-1(2H)-one

Base Information

• Chemical Name: 4-chlorophthalazin-1(2H)-one
• CAS No.: 2257-69-4
• Molecular Formula: C8H5ClN2O
• Molecular Weight: 180.593
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10379411
• Wikidata: Q27454516
• ChEMBL ID: CHEMBL2381525
• Mol file: 2257-69-4.mol

Synonyms:4-chlorophthalazin-1(2H)-one;2257-69-4;4-chloro-2H-phthalazin-1-one;4-CHLORO-1,2-DIHYDROPHTHALAZIN-1-ONE;4-chlorophthalazin-1-ol;4-chloro-1(2H)-phthalazinone;1(2H)-Phthalazinone, 4-chloro-;MFCD00102192;4-chlorophthalazone;4-chlorophthalazin-1-one;1-Chlorophthalazin-4-one;1-chlorophthalazine-4-one;4-chloro-1-hydroxyphthalazine;SCHEMBL599352;CHEMBL2381525;DTXSID10379411;QCKGMJDOJRNSMS-UHFFFAOYSA-N;BBL100188;STK359433;STL377908;AKOS002665692;AKOS003349258;AC-36706;AS-30151;BP-10972;SY239062;CS-0090877;FT-0617972;A878503;W-206770;4,4-cyclohexylidenebisN-(4-methylphenyl)-Benzenamine;Q27454516

Chemical Property of 4-chlorophthalazin-1(2H)-one

Chemical Property:

• Vapor Pressure: 8.2E-09mmHg at 25°C
• Melting Point: 273 °C
• Refractive Index: 1.688
• Boiling Point: 452.7 °C at 760 mmHg
• PKA: 10.58±0.40(Predicted)
• Flash Point: 227.6 °C
• PSA: 45.75000
• Density: 1.5 g/cm³
• LogP: 1.57650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.0090405
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorophthalazin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)NN=C2Cl
• Uses: 1-Chlorophthalazin-4-one acts as an organic and pharmaceutical intermediate.

Technology Process of 4-chlorophthalazin-1(2H)-one

There total 18 articles about 4-chlorophthalazin-1(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: 94.4%

2,3-dihydrophthalazine-1,4-dione (1445-69-8) → 1-chloro-4-phthalazinone (2257-69-4)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 4h; Temperature;

Reference yield: 94.0%

1,4-dichlorophthalazine (4752-10-7) → 1-chloro-4-phthalazinone (2257-69-4)

Guidance literature:

With acetic acid; at 120 ℃; for 5h;

DOI:10.1016/j.ejmech.2018.01.008

Reference yield: 90.0%

1,4-dichlorophthalazine (4752-10-7) → 4-chlorophthalazin-1-ol (2257-69-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 50 ℃; for 2h;

upstream raw materials:

1,4-dichlorophthalazine

benzene-1,2-dicarboxylic acid

2-phenyl-4-(2-methyl-4-chloro-1,2-dihydro-1-phthalazinylidene)benzohydrazidine

hydrogenchloride

Downstream raw materials:

4-pyrrolidino-1-(2H)-phthalazinone

phthalazonyl glycol ether

4-piperidino-1(2H)-phthalazinone

4-heptamethyleneimino-1(2H)-phthalazinone

Refernces

• 1、 -. "4-pyridine substituted phthalazinone compound as well as preparation method, pharmaceutical composition and application thereof". Paragraph 0098-0101. . Retrieved 2021/01/04.
• 2、 -. "Pyridazinone compound, preparation method thereof, pharmaceutical composition and application thereof". Paragraph 0092-0094. . Retrieved 2019/03/15.