6-Amino-2,3-difluorophenol

Base Information

• Chemical Name: 6-Amino-2,3-difluorophenol
• CAS No.: 115551-33-2
• Molecular Formula: C6H5F2NO
• Molecular Weight: 145.109
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID80380933
• Nikkaji Number: J1.129.281J
• Wikidata: Q82171437
• Mol file: 115551-33-2.mol

Synonyms:6-amino-2,3-difluorophenol;115551-33-2;3,4-Difluoro-2-hydroxyaniline;Phenol, 6-amino-2,3-difluoro-;2-amino-5,6-difluorophenol;6-Amino-2,3-difluoro-phenol;Phenol,6-amino-2,3-difluoro-;2,3-Difluoro-6-aminophenol;6-Amino-2,3-diflourophenol;SCHEMBL932188;6-amino-2,3 difluoro-phenol;2-Hydroxy-3,4-difluoroaniline;2-hydroxy 3,4-difluoro aniline;DTXSID80380933;KRURHZHJEDNBCM-UHFFFAOYSA-N;MFCD03094310;AKOS009158100;PS-8968;6-amino-2,3-difluorophenol, AldrichCPR;CS-0132068;FT-0687032;D81749;EN300-250151;A803447

Chemical Property of 6-Amino-2,3-difluorophenol

Chemical Property:

• Vapor Pressure: 0.0463mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 229.4 °C at 760 mmHg
• PKA: 7.50±0.15(Predicted)
• Flash Point: 92.5 °C
• PSA: 46.25000
• Density: 1.472 g/cm³
• LogP: 1.83380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °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:

99.5% ^*data from raw suppliers

6-Amino-2,3-difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)O)F)F

Technology Process of 6-Amino-2,3-difluorophenol

There total 5 articles about 6-Amino-2,3-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: 97.0%

2,3-difluoro-6-nitrophenol (82419-26-9) → 2-hydroxy 3,4-difluoro aniline (115551-33-2)

Guidance literature:

palladium-carbon;

Reference yield: 85.0%

(3,4-difluorophenyl)-carbamic acid-tert-butyl ester (144298-04-4) → 2-hydroxy 3,4-difluoro aniline (115551-33-2)

Guidance literature:

Multistep reaction;

Reference yield:

2-benzyloxy-3,4-difluoro-1-nitrobenzene (441713-58-2) + 1-(benzyloxy)-2.3-difluoro-4-nitrobenzene (868735-81-3) → 2-hydroxy 3,4-difluoro aniline (115551-33-2) + 4-amino-2,3-difluoro-phenol (163733-99-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; ethyl acetate; for 12h;

upstream raw materials:

2,3-difluoro-6-nitrophenol

(3,4-difluorophenyl)-carbamic acid-tert-butyl ester

2-benzyloxy-3,4-difluoro-1-nitrobenzene

1-(benzyloxy)-2.3-difluoro-4-nitrobenzene

Downstream raw materials:

5-[4-(benzyloxy)phenyl]-1-(2,4-dichlorophenyl)-N-(3,4-difluoro-2-hydroxyphenyl)-4-methyl-1H-pyrazole-3-carboxamide

1-(3-chloro-phenyl)-3-(3,4-difluoro-2-hydroxy-phenyl)-thiourea

1-(3,4-difluoro-2-hydroxy-phenyl)-3-(2,4-difluoro-phenyl)-thiourea

Refernces

• 1、 -. "BACTERIAL TOPOISOMERASE I INHIBITORS WITH ANTIBACTERIAL ACTIVITY". Paragraph 0120. . Retrieved 2018/04/13.
• 2、 Nosova, Emiliya V.,Stupina, Tatyana V.,Lipunova, Galina N.,Charushin, Valery N.. "Synthesis and fluorescent properties of 2-styryl-6,7-difluoro-8- hydroxyquinoline and its Zn(II) complex". . p. 36 - 38. Retrieved 2013/06/05.