5-Chloropyrazine-2-carboxylic acid;chloride

Base Information

• Chemical Name: 5-Chloropyrazine-2-carboxylic acid;chloride
• CAS No.: 6531-04-0
• Molecular Formula: C5H2Cl2N2O
• Molecular Weight: 176.99
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30693005
• Mol file: 6531-04-0.mol

Synonyms:DTXSID30693005;5-chloropyrazine-2-carboxylic acid;chloride

Chemical Property of 5-Chloropyrazine-2-carboxylic acid;chloride

Chemical Property:

• Vapor Pressure: 0.0608mmHg at 25°C
• Boiling Point: 317.1±22.0 °C(Predicted)
• PKA: -1.52±0.10(Predicted)
• PSA: 65.91000
• Density: 1.549±0.06 g/cm3(Predicted)
• LogP: 0.29550
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.9571577
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

6-chloropyridazine-3-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CC(=N1)Cl)C(=O)O.[Cl-]

Technology Process of 5-Chloropyrazine-2-carboxylic acid;chloride

There total 7 articles about 5-Chloropyrazine-2-carboxylic acid;chloride 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: 100.0%

6-chloro-pyridazine-3-carboxylic acid (5096-73-1) → 6-chloro-pyridazine-3-carbonyl chloride (6531-04-0)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield:

6-oxo-1,6-dihydropyridazine-3-carboxylic acid (37972-69-3) → 6-chloro-pyridazine-3-carbonyl chloride (6531-04-0)

Guidance literature:

With thionyl chloride; In chloroform; N,N-dimethyl-formamide; at 53 ℃; for 7h;

DOI:10.1016/j.bmcl.2009.11.043

Reference yield:

6-hydroxy-pyridazine-3-carboxylic acid (37972-69-3) → 6-chloro-pyridazine-3-carbonyl chloride (6531-04-0)

Guidance literature:

With trichlorophosphate; for 0.75h; Heating / reflux;

upstream raw materials:

6-chloro-pyridazine-3-carboxylic acid

6-oxo-1,6-dihydropyridazine-3-carboxylic acid

6-hydroxy-pyridazine-3-carboxylic acid

3-chloro-6-methylpyridazine

Downstream raw materials:

methyl 6-chloro-3-pyridazinecarboxylate

C₁₆H₁₄ClN₃O₂

6-chloro-N-(2,4-dimethoxybenzyl)-N-(prop-2-yn-1-yl)pyridazine-3-carboxamide

C₁₄H₁₀ClN₃O