4-Chloropyrido[3,4-d]pyridazine

Base Information

• Chemical Name: 4-Chloropyrido[3,4-d]pyridazine
• CAS No.: 162022-93-7
• Molecular Formula: C₇H₄ClN₃
• Molecular Weight: 165.582
• UNII: YY6RTE328D
• DSSTox Substance ID: DTXSID60167300
• Nikkaji Number: J650.055B
• Wikidata: Q83036647
• Mol file: 162022-93-7.mol

Synonyms:4-chloropyrido[3,4-d]pyridazine;162022-93-7;4-Chloropyrido(3,4-d)pyridazine;CCRIS 7349;4-Chloro-pyrido(3,4-d)pyridazine;YY6RTE328D;UNII-YY6RTE328D;SCHEMBL4439957;DTXSID60167300;AKOS006276929;LS-189353;PYRIDO(3,4-D)PYRIDAZINE, 4-CHLORO-

Chemical Property of 4-Chloropyrido[3,4-d]pyridazine

Chemical Property:

• Vapor Pressure: 1.43E-06mmHg at 25°C
• Boiling Point: 410.5°Cat760mmHg
• Flash Point: 234.5°C
• PSA: 38.67000
• Density: 1.437g/cm³
• LogP: 1.67820
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.0093748
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

95% ^*data from raw suppliers

4-Chloropyrido[3,4-d]pyridazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C(N=NC=C21)Cl

Technology Process of 4-Chloropyrido[3,4-d]pyridazine

There total 3 articles about 4-Chloropyrido[3,4-d]pyridazine 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: 68.0%

4-chloro-1-hydrazinopyrido<3,4-d>pyridazine (25381-43-5) → 4-chloropyrido<3,4-d>pyridazine (162022-93-7)

Guidance literature:

With mercury(II) oxide; In water; for 4h;

DOI:10.1248/bpb.18.363

Reference yield:

pyrido<3,4-d>pyridazine 3-oxide (162022-86-8) → 4-chloropyrido<3,4-d>pyridazine (162022-93-7)

Guidance literature:

With trichlorophosphate; In chloroform;

DOI:10.1248/bpb.18.363

Reference yield:

pyrido(3,4-d)pyridazine (253-53-2) → 4-chloropyrido<3,4-d>pyridazine (162022-93-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent / m-chloroperbenzoic acid / CHCl₃ / 24 h / 20 °C

2: POCl₃ / CHCl₃

With 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; In chloroform; 1: Oxidation / 2: Chlorination;

DOI:10.1248/bpb.18.363

upstream raw materials:

4-chloro-1-hydrazinopyrido<3,4-d>pyridazine

pyrido<3,4-d>pyridazine 3-oxide

pyrido(3,4-d)pyridazine