2,5-Difluorobenzene-1,3-diamine

Base Information

• Chemical Name: 2,5-Difluorobenzene-1,3-diamine
• CAS No.: 25170-73-4
• Molecular Formula: C6H6F2N2
• Molecular Weight: 144.124
• DSSTox Substance ID: DTXSID90552760
• Nikkaji Number: J3.512.246J
• Wikidata: Q82433132
• Mol file: 25170-73-4.mol

Synonyms:2,5-difluorobenzene-1,3-diamine;25170-73-4;1,3-Diamino-2,5-difluorobenzene;2,5-difluoro-1,3-phenylenediamine;SCHEMBL1461822;DTXSID90552760;OXQYQVUUXNUPOS-UHFFFAOYSA-N;AKOS006339700

Chemical Property of 2,5-Difluorobenzene-1,3-diamine

Chemical Property:

• Melting Point: 213-215 °C
• Boiling Point: 258.9±35.0 °C(Predicted)
• PSA: 52.04000
• Density: 1.407±0.06 g/cm3(Predicted)
• LogP: 2.29160
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 144.04990452
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)F)N)F

Technology Process of 2,5-Difluorobenzene-1,3-diamine

There total 6 articles about 2,5-Difluorobenzene-1,3-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: 72.0%

2,3,5-trifluoro aniline (363-80-4) → 2,5-difluoro-1,3-phenylenediamine (25170-73-4)

Guidance literature:

With ammonia; In 1,4-dioxane; at -33 - 210 ℃; for 36h; regioselective reaction; Autoclave; Sealed tube;

DOI:10.1016/j.jfluchem.2015.09.003

Reference yield: 68.0%

1,2,3,5-tetrafluorobenzene (2367-82-0) → 2,5-difluoro-1,3-phenylenediamine (25170-73-4)

Guidance literature:

With ammonia; In tert-butyl methyl ether; at -33 - 220 ℃; for 68h; regioselective reaction; Autoclave; Sealed tube;

DOI:10.1016/j.jfluchem.2015.09.003

Reference yield:

Hexafluorobenzene (392-56-3) → 2,3,5,6-tetrafluorobenzene-1,4-diamine (1198-64-7) + 2,4,5,6-tetrafluorobenzene-1,3-diamine (1198-63-6) + 2,5-difluoro-1,3-phenylenediamine (25170-73-4) + 2,4,5-trifluoro-1,3-phenylenediamine (321182-37-0)

Guidance literature:

With ammonia; In water; at 220 ℃; for 6h; Autoclave;

DOI:10.1007/s11172-009-0101-8

upstream raw materials:

Hexafluorobenzene

2,4,5,6-tetrafluorobenzene-1,3-diamine

1,2,3,5-tetrafluorobenzene

2,3,5-trifluoro aniline

Downstream raw materials:

N-(3-amino-2,5-difluorophenyl)propane-1-sulfonamide