6-Fluoroquinazoline-2,4-diamine

Base Information

• Chemical Name: 6-Fluoroquinazoline-2,4-diamine
• CAS No.: 119584-77-9
• Molecular Formula: C₈H₇FN₄
• Molecular Weight: 178.169
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID70152505
• Nikkaji Number: J454.367J
• Wikidata: Q83019152
• Mol file: 119584-77-9.mol

Synonyms:6-fluoroquinazoline-2,4-diamine;119584-77-9;2,4-Quinazolinediamine, 6-fluoro-;2,4-Diamino-6-fluoroquinazoline;DTXSID70152505;MFCD03094417;AKOS016006194;A18122

Chemical Property of 6-Fluoroquinazoline-2,4-diamine

Chemical Property:

• Vapor Pressure: 9.34E-09mmHg at 25°C
• Melting Point: 315-320 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 463.1°Cat760mmHg
• PKA: 7.87±0.26(Predicted)
• Flash Point: 233.9°C
• PSA: 79.28000
• Density: 1.5g/cm³
• LogP: 0.79350
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 178.06547440
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

≥99% ^*data from raw suppliers

6-Fluoroquinazoline-2,4-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=NC(=N2)N)N

Technology Process of 6-Fluoroquinazoline-2,4-diamine

There total 2 articles about 6-Fluoroquinazoline-2,4-diamine 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: 78.0%

2,5-difluorobenzonitrile (64248-64-2) + guanidine hydrogen carbonate (124-46-9,20734-13-8,100224-74-6,593-85-1,90332-86-8,3425-08-9) → 2,4-diamino-6-fluoroquinazoline (119584-77-9)

Guidance literature:

In N,N-dimethyl acetamide; at 140 - 142 ℃; for 6h;

Reference yield: 48.0%

2,5-difluorobenzonitrile (64248-64-2) + guanidine nitrate (113-00-8) → 2,4-diamino-6-fluoroquinazoline (119584-77-9)

Guidance literature:

With sodium carbonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 125 ℃; for 3h;

DOI:10.1039/c5ra03510d

upstream raw materials:

2,5-difluorobenzonitrile

guanidine hydrogen carbonate

guanidine nitrate