1-Chloro-7-methoxyphthalazine

Base Information

• Chemical Name: 1-Chloro-7-methoxyphthalazine
• CAS No.: 102196-78-1
• Molecular Formula: C₉H₇ClN₂O
• Molecular Weight: 194.62
• European Community (EC) Number: 895-521-0
• DSSTox Substance ID: DTXSID10570805
• Wikidata: Q82458353
• Mol file: 102196-78-1.mol

Synonyms:1-CHLORO-7-METHOXYPHTHALAZINE;102196-78-1;1-CHLORO-7-METHOXY-PHTHALAZINE;PHTHALAZINE, 1-CHLORO-7-METHOXY-;SCHEMBL1526862;DTXSID10570805;SLDSSDJHOPSSSK-UHFFFAOYSA-N;CEA19678;AB69656;CS-0439908;EN300-5052426;A910247;Z1255392379

Chemical Property of 1-Chloro-7-methoxyphthalazine

Chemical Property:

• Melting Point: 144.9-145.5 °C (decomp)
• Boiling Point: 398.0±22.0 °C(Predicted)
• Density: 1.333±0.06 g/cm3(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-7-methoxyphthalazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(N=NC=C2C=C1)Cl

Technology Process of 1-Chloro-7-methoxyphthalazine

There total 3 articles about 1-Chloro-7-methoxyphthalazine 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: 86.0%

7-methoxyphthalazin-1-(2H)-one (60889-22-7) → 1-chloro-7-methoxyphthalazine (102196-78-1)

Guidance literature:

With trichlorophosphate; for 1h; Reflux;

DOI:10.1016/j.ejmech.2020.112078

Reference yield:

2-formyl-5-methoxy-benzoic acid (4785-56-2) → 1-chloro-7-methoxyphthalazine (102196-78-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution; N₂H₄+H₂SO₄

2: POCl₃

With sodium hydroxide; sulfuric acid; hydrazine; trichlorophosphate;

DOI:10.1021/ja01211a063

Reference yield:

6-methoxy-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid (64223-66-1) → 1-chloro-7-methoxyphthalazine (102196-78-1)

Guidance literature:

Multi-step reaction with 2 steps

2: POCl₃

With trichlorophosphate;

DOI:10.1021/ja01211a063

upstream raw materials:

7-methoxyphthalazin-1-(2H)-one

6-methoxy-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid

2-formyl-5-methoxy-benzoic acid

Downstream raw materials:

7-methoxy-1-tosylphthalazine