2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
• CAS No.: 30530-44-0
• Molecular Formula: C9H8FN5
• Molecular Weight: 205.194
• Hs Code.: 2933699090
• European Community (EC) Number: 622-599-3
• ChEMBL ID: CHEMBL139399
• DSSTox Substance ID: DTXSID60464366
• Nikkaji Number: J695.260G
• Wikidata: Q82289653
• Mol file: 30530-44-0.mol

Synonyms:30530-44-0;2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine;6-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;CHEMBL139399;SCHEMBL2493658;DTXSID60464366;MFCD00737286;AKOS015894736;SB73355;CS-0360888;FT-0692830;A18612;6-(4-fluorophenyl)-2,4-diamino-1,3,5-triazine;J-017999;2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine, 95%

Chemical Property of 2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 1.33E-09mmHg at 25°C
• Melting Point: 276-280 °C
• Refractive Index: 1.671
• Boiling Point: 486.1 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 247.8 °C
• PSA: 90.71000
• Density: 1.433 g/cm³
• LogP: 2.00450
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 205.07637344
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)F

Technology Process of 2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine

There total 4 articles about 2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine 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: 81.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) + metformin hydrochloride (1115-70-4) → 2,4-diamino-6-(4-fluorophenyl)-1,3,5-triazine (30530-44-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 80 ℃;

Reference yield: 80.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 2,4-diamino-6-(4-fluorophenyl)-1,3,5-triazine (30530-44-0)

Guidance literature:

With potassium hydroxide; In various solvent(s); at 130 ℃; for 0.25h; microwave irradiation;

DOI:10.1016/j.tetlet.2004.04.195

Reference yield: 77.0%

2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + 4-fluoroboronic acid (1765-93-1) → 2,4-diamino-6-(4-fluorophenyl)-1,3,5-triazine (30530-44-0)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; Heating;

DOI:10.1016/S0040-4020(01)00119-3

upstream raw materials:

2-Chloro-4,6-diamino-1,3,5-triazine

4-fluoroboronic acid

4-fluorobenzonitrile

N-Cyanoguanidine

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