2-Amino-5-fluorophenol

Base Information

• Chemical Name: 2-Amino-5-fluorophenol
• CAS No.: 53981-24-1
• Molecular Formula: C6H6FNO
• Molecular Weight: 127.118
• Hs Code.: 29089990
• European Community (EC) Number: 640-241-4
• DSSTox Substance ID: DTXSID70202291
• Nikkaji Number: J600.839I
• Wikidata: Q72437259
• Mol file: 53981-24-1.mol

Synonyms:5-Fluoro-2-aminophenol;2-amino-5-fluoro-phenol;

Chemical Property of 2-Amino-5-fluorophenol

Chemical Property:

• Vapor Pressure: 0.000642mmHg at 25°C
• Melting Point: 38 °C
• Refractive Index: 1.474
• Boiling Point: 246.1 °C at 760 mmHg
• PKA: 8.76±0.10(Predicted)
• Flash Point: 102.6 °C
• PSA: 46.25000
• Density: 1.347 g/cm³
• LogP: 1.69470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Solubility.: DMSO, Methanol
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.043341977
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

2-Amino-5-fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)O)N
• Uses: 2-Amino-5-fluorophenol is a fluoroaniline metabolite. 2-Amino-5-fluorophenol is used as organic intermediate. To synthesize the intermediate (2-amino-5-fluorophenol-N, N, O-triacetic acid trimethyl ester) of indicator which used in the determination Mg2+ by NMR, three feasible reactions were experimentally carried out, such as alkaline hydrolysis, catalytic hydrogenation and esterification. 2-Amino-5-fluorophenol is a fluoroaniline metabolite.

Technology Process of 2-Amino-5-fluorophenol

There total 7 articles about 2-Amino-5-fluorophenol 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: 100.0%

5-fluoro-2-nitrophenol (446-36-6) → 2-amino-5-fluorophenol (53981-24-1)

Guidance literature:

With ammonium formate; palladium(II) hydroxide; In methanol; for 0.166667h; Inert atmosphere;

Reference yield: 92.0%

→ 2-amino-5-fluorophenol (53981-24-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h; Inert atmosphere;

Reference yield: 83.0%

→ 2-amino-5-fluorophenol (53981-24-1) + sodium hydrogencarbonate (144-55-8)

Guidance literature:

upstream raw materials:

O-(3-fluorophenyl)hydroxylamine

5-fluoro-2-nitrophenol

2,4-difluorophenylamine

Downstream raw materials:

6-fluoro-1,3-benzoxazole-2-thiol

7-fluoro-6-amino-2H-1,4-benzoxazin-3-(4H)-one

7-fluoro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Refernces

• 1、 Yang, Dong,Liu, Pei,Lin, Wanran,Sui, Shanglin,Huang, Long-Biao,Xu, Ben Bin,Kong, Jie. "Hyperbranched Poly(ester-enamine) from Spontaneous Amino-yne Click Reaction for Stabilization of Gold Nanoparticle Catalysts". supporting information. p. 2499 - 2504. Retrieved 2020/07/13.
• 2、 -. "HMOX1 inducers". Page/Page column 62; 94. . Retrieved 2020/09/18.