3-Amino-2-chloroisonicotinamide

Base Information

• Chemical Name: 3-Amino-2-chloroisonicotinamide
• CAS No.: 342899-34-7
• Molecular Formula: C₆H₆ClN₃O
• Molecular Weight: 171.586
• Hs Code.: 2933399090
• European Community (EC) Number: 819-112-3
• DSSTox Substance ID: DTXSID20376239
• Nikkaji Number: J1.500.012K
• Wikidata: Q72434452
• Mol file: 342899-34-7.mol

Synonyms:3-AMINO-2-CHLOROISONICOTINAMIDE;342899-34-7;3-amino-2-chloropyridine-4-carboxamide;3-Amino-2-chloro-isonicotinamide;MFCD03411639;3-amino-2-chloro-4-pyridinecarboxamide;SCHEMBL15645010;DTXSID20376239;QWUCBIZSYQTOAO-UHFFFAOYSA-N;AMY15658;AKOS006277811;AB14191;SY066063;TS-00159;CS-0062146;FT-0614927;C74761;EN300-253555;A822151

Chemical Property of 3-Amino-2-chloroisonicotinamide

Chemical Property:

• Vapor Pressure: 0.000256mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 323.8 °C at 760 mmHg
• PKA: 14.14±0.50(Predicted)
• Flash Point: 149.6 °C
• PSA: 82.00000
• Density: 1.484 g/cm³
• LogP: 1.69760
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0199395
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

99%, ^*data from raw suppliers

3-amino-2-chloroisonicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=C1C(=O)N)N)Cl

Technology Process of 3-Amino-2-chloroisonicotinamide

There total 6 articles about 3-Amino-2-chloroisonicotinamide 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: 89.0%

3-amino-2-chloroisonicotinic acid (58483-94-6) → 3-amino-2-chloropyridine-4-carboxamide (342899-34-7)

Guidance literature:

3-amino-2-chloroisonicotinic acid; With thionyl chloride; N,N-dimethyl-formamide; for 2h; Inert atmosphere; Reflux;

With ammonium hydroxide; water; In tetrahydrofuran; at 20 ℃; Cooling with ice;

DOI:10.1021/acs.jmedchem.5b01635

Reference yield: 86.0%

methyl 3-amino-2-chloropyridine-4-carboxylate (173435-41-1) → 3-amino-2-chloropyridine-4-carboxamide (342899-34-7)

Guidance literature:

With ammonia; In methanol; at 30 ℃; for 48h; Autoclave;

Reference yield: 58.0%

3-aminopyridine-4-carboxamide (64188-97-2) → 3-amino-2-chloropyridine-4-carboxamide (342899-34-7)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; at 20 ℃; for 0.5h;

DOI:10.1002/jhet.5570380114

upstream raw materials:

3-aminopyridine-4-carboxamide

isonicotinamide

3-nitroisonicotinamide

methyl 3-amino-2-chloropyridine-4-carboxylate

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