2-Amino-4,6-difluoropyrimidine

Base Information

• Chemical Name: 2-Amino-4,6-difluoropyrimidine
• CAS No.: 675-11-6
• Molecular Formula: C4H3 F2 N3
• Molecular Weight: 131.085
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60360910
• Nikkaji Number: J2.136.485A
• Wikidata: Q72435921
• Mol file: 675-11-6.mol

Synonyms:2-Amino-4,6-difluoropyrimidine;675-11-6;4,6-difluoropyrimidin-2-amine;2-Pyrimidinamine, 4,6-difluoro-;MFCD00233527;AMY137;SCHEMBL1427693;4,6-Difluoropyrimidine-2-amine;DTXSID60360910;BCP08516;STK680782;AKOS006228753;CS-W022058;SB57544;DS-12827;SY112839;FT-0600918;O11141;A835779

Chemical Property of 2-Amino-4,6-difluoropyrimidine

Chemical Property:

• Vapor Pressure: 0.00672mmHg at 25°C
• Melting Point: 214-216 °C
• Boiling Point: 270.7oC at 760 mmHg
• PKA: 0.68±0.10(Predicted)
• Flash Point: 117.5oC
• PSA: 51.80000
• Density: 1.513g/cm3
• LogP: 0.91820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 131.02950343
• Heavy Atom Count: 9
• Complexity: 89.8

Purity/Quality:

98%min ^*data from raw suppliers

4,6-Difluoropyrimidin-2-amine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(N=C1F)N)F
• Uses: 4,6-Difluoropyrimidin-2-amine is a useful research chemical.

Technology Process of 2-Amino-4,6-difluoropyrimidine

There total 2 articles about 2-Amino-4,6-difluoropyrimidine 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: 67.0%

2,4,6-trifluoropyrimidine (696-82-2) → 4-amino-2,6-difluoropyrimidine (675-12-7) + 2-amino-4,6-difluoropyrimidine (675-11-6) + 2,4-diamino-6-fluoropyrimidine (696-83-3)

Guidance literature:

With ammonia; In methanol; at 20 ℃;

DOI:10.1002/jhet.5570410623

Reference yield:

2,4,6-trifluoropyrimidine (696-82-2) → 4-amino-2,6-difluoropyrimidine (675-12-7) + 2-amino-4,6-difluoropyrimidine (675-11-6)

Guidance literature:

With ammonia; In 1,4-dioxane; water; at 25 ℃; Rate constant;

Reference yield: 95.0%

2-amino-4,6-difluoropyrimidine (675-11-6) + benzylamine (100-46-9) → 2-amino-4-benzylamino-6-fluoropyrimidine

Guidance literature:

In N,N-dimethyl-formamide; at 50 - 60 ℃;

upstream raw materials:

2,4,6-trifluoropyrimidine

Downstream raw materials:

2-amino-4-dimethylamino-6-fluoropyrimidine

4-amino-2-dimethylamino-6-fluoropyrimidine

2-amino-4-diethylamino-6-fluoropyrimidine

2-amino-4-methylamino-6-fluoropyrimidine

Refernces

• 1、 Chambers, Richard D.,Seabury, Mark J.,Williams, D. Lyn H.,Hughes, Nigel. "MECHANISMS FOR REACTIONS OF HALOGENATED COMPOUNDS. PART 6. INVESTIGATIONS INTO THE ACTIVATING EFFECT OF ORTHO-FLUORINE IN NUCLEOPHILIC AROMATIC SUBSTITUTION". . p. 255 - 258. Retrieved 2007/10/02.