4-Amino-2,5-difluorophenol

Base Information

• Chemical Name: 4-Amino-2,5-difluorophenol
• CAS No.: 120103-19-7
• Molecular Formula: C6H5F2NO
• Molecular Weight: 145.109
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID50381114
• Wikidata: Q82171745
• Mol file: 120103-19-7.mol

Synonyms:4-AMINO-2,5-DIFLUOROPHENOL;120103-19-7;Phenol, 4-amino-2,5-difluoro-;4-Amino-2,5-difluoro-phenol;SCHEMBL139113;DTXSID50381114;RPNPSBJBVUOFBH-UHFFFAOYSA-N;4-azanyl-2,5-bis(fluoranyl)phenol;CL8497;MFCD03094492;AKOS009158760;AM83047;DS-1809;PS-8967;Benzene, 1-ethynyl-4-(1-methylethoxy)-;A2505;CS-0157833;FT-0642932;A804433

Chemical Property of 4-Amino-2,5-difluorophenol

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 251.8 °C at 760 mmHg
• PKA: 7.99±0.23(Predicted)
• Flash Point: 106.1 °C
• PSA: 46.25000
• Density: 1.472 g/cm³
• LogP: 1.83380
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 145.03392011
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-2,5-difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)O)F)N
• Uses: 4-Amino-2,5-difluorophenol?is used in preparation of Phenoxypyridylpyrimidine derivatives for use as Inositol requiring enzyme 1 activity modulators.

Technology Process of 4-Amino-2,5-difluorophenol

There total 4 articles about 4-Amino-2,5-difluorophenol 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: 99.0%

1-(benzyloxy)-2,5-difluoro-4-nitrobenzene (868736-12-3) → 4-amino-2,5-difluorophenol (120103-19-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 24.3333h;

Reference yield: 96.0%

2.5-difluoro-4-nitrophenol (120103-18-6) → 4-amino-2,5-difluorophenol (120103-19-7)

Guidance literature:

With platinum(IV) oxide; hydrogen; In methanol; at 20 ℃; for 4h; under 3040.2 Torr;

Reference yield: 60.0%

2,5-difluoro-4-phenylazophenol (847872-05-3) → 4-amino-2,5-difluorophenol (120103-19-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 18h; under 750.075 Torr;

upstream raw materials:

1-(benzyloxy)-2,5-difluoro-4-nitrobenzene

2,5-difluoro-4-phenylazophenol

1,2,4-trifluoro-5-nitrobenzene

2.5-difluoro-4-nitrophenol

Downstream raw materials:

(2,5-difluoro-4-hydroxy-phenyl)-carbamic acid benzyl ester

4-(4-amino-2,5-difluorophenoxy)picolinamide

4-amino-6-(4-amino-2,5-difluorophenoxy)pyrimidine

4-(4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamido)-2,5-difluorophenoxy)picolinamide

Refernces

• 1、 -. "SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE". Paragraph 0315. . Retrieved 2015/02/19.
• 2、 -. "SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE". Paragraph 0183. . Retrieved 2014/01/07.