2-Aminonicotinoyl chloride

Base Information

• Chemical Name: 2-Aminonicotinoyl chloride
• CAS No.: 342614-83-9
• Molecular Formula: C6H5ClN2O
• Molecular Weight: 156.57000
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90499565
• Wikidata: Q82350447
• Mol file: 342614-83-9.mol

Synonyms:2-Aminonicotinoyl chloride;342614-83-9;2-Aminopyridine-3-carbonyl chloride;3-Pyridinecarbonyl chloride, 2-amino- (9CI);2-Aminonicotinoylchloride;SCHEMBL7506990;DTXSID90499565

Chemical Property of 2-Aminonicotinoyl chloride

Chemical Property:

• PSA: 55.98000
• LogP: 1.62400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.0090405
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

2-Aminonicotinoyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)N)C(=O)Cl

Technology Process of 2-Aminonicotinoyl chloride

There total 1 articles about 2-Aminonicotinoyl 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:

2-aminopyridin-3-carboxylic acid (5345-47-1) → 2-Amino-nicotinoyl chloride (342614-83-9)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

2-chloro-6-methylaniline (87-63-8) + 2-Amino-nicotinoyl chloride (342614-83-9) → C13H12ClN3O (1258197-21-5)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

Reference yield:

2-Amino-nicotinoyl chloride (342614-83-9) → C24H29ClN8O2 (1258197-08-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / 0 - 20 °C

2: potassium carbonate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / N,N-dimethyl-formamide; tetrahydrofuran / 0.12 h / 180 °C / Microwave irradiation

With pyridine; palladium diacetate; potassium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2-aminopyridin-3-carboxylic acid

Downstream raw materials:

C₁₃H₁₂ClN₃O

C₂₄H₂₉ClN₈O₂