2-Amino-3-fluorophenol

Base Information

• Chemical Name: 2-Amino-3-fluorophenol
• CAS No.: 53981-23-0
• Molecular Formula: C6H6FNO
• Molecular Weight: 127.118
• Hs Code.: 2922299090
• European Community (EC) Number: 812-841-8
• DSSTox Substance ID: DTXSID90382286
• Nikkaji Number: J600.837B
• Wikidata: Q82173602
• Mol file: 53981-23-0.mol

Synonyms:2-amino-3-fluorophenol;53981-23-0;2-amino-3-fluoro-phenol;Phenol, 2-amino-3-fluoro-;MFCD07368754;6-Fluoro-2-hydroxyaniline;SCHEMBL101891;DTXSID90382286;QOZLOYKAFDTQNU-UHFFFAOYSA-N;Ethylbenzo[d]isoxazole-3-carboxylate;2-Amino-3-fluorophenol, AldrichCPR;AKOS009157554;CS-W019180;PS-9170;AC-24336;SY101468;AM20061202;FT-0679666;EN300-78967;A829877;J-507790

Chemical Property of 2-Amino-3-fluorophenol

Chemical Property:

• Vapor Pressure: 0.0704mmHg at 25°C
• Melting Point: 126-127°
• Refractive Index: 1.601
• Boiling Point: 221.9°Cat760mmHg
• PKA: 8.76±0.10(Predicted)
• Flash Point: 88°C
• PSA: 46.25000
• Density: 1.347g/cm³
• LogP: 1.69470
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 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:

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

2-Amino-3-fluorophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)N)O
• Uses: 2-Amino-3-fluorophenol is a reagent that is used in the preparation of benzimidazole- and benzoxazole-pyrimidone selective PI3Kβ inhibitors for the treatment of phosphatase and TENsin homologue (PTEN) deficient cancers.

Technology Process of 2-Amino-3-fluorophenol

There total 7 articles about 2-Amino-3-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: 99.0%

2-(benzyloxy)-6-fluoroaniline (160564-65-8) → 2-amino-3-fluorophenol (53981-23-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 2h;

Reference yield: 86.0%

2-nitro-3-fluorophenol (385-01-3) → 2-amino-3-fluorophenol (53981-23-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h; under 760.051 Torr;

DOI:10.1002/cmdc.201700228

Reference yield: 74.0%

N-(2-fluoro-6-hydroxyphenyl)acetamide (384346-28-5) → 2-amino-3-fluorophenol (53981-23-0)

Guidance literature:

N-(2-fluoro-6-hydroxyphenyl)acetamide; With hydrogenchloride; water; at 110 ℃; for 5h;

In methanol;

upstream raw materials:

O-(3-fluorophenyl)hydroxylamine

2-nitro-3-fluorophenol

2,6-difluoro-1-nitrobenzene

1-fluoro-3-methoxy-2-nitrobenzene

Downstream raw materials:

4-fluoro-1,3-benzoxazol-2(3H)-one

N-[2-Fluoro-6-(2-oxiranylmethoxy)phenyl]acetamide

4-bromo-2,6-difluoro-N-(2-fluoro-6-hydroxyphenyl)benzamide

Refernces

• 1、 -. "INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE". Page/Page column 120. . Retrieved 2011/10/03.
• 2、 -. "PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION". Page/Page column 105. . Retrieved 2008/12/07.