6-Fluorobenzo[d]isoxazol-3-ylamine

Base Information

• Chemical Name: 6-Fluorobenzo[d]isoxazol-3-ylamine
• CAS No.: 177995-38-9
• Molecular Formula: C₇H₅FN₂O
• Molecular Weight: 152.128
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50441323
• Nikkaji Number: J1.348.494E
• Wikidata: Q72437088
• Mol file: 177995-38-9.mol

Synonyms:177995-38-9;6-Fluorobenzo[d]isoxazol-3-ylamine;6-fluorobenzo[d]isoxazol-3-amine;6-fluoro-1,2-benzoxazol-3-amine;6-Fluoro-benzo[d]isoxazol-3-ylamine;1,2-Benzisoxazol-3-amine, 6-fluoro-;MFCD09999138;1,2-Benzisoxazol-3-amine,6-fluoro-(9CI);6-fluoro-1,2-benzisoxazol-3-amine;1,2-Benzisoxazol-3-amine,6-fluoro-;SCHEMBL2440742;DTXSID50441323;6-Fluorobenzo[d]isoxazole-3-amine;6-Fluoro-1,2-benzisoxazole-3-amine;AKOS015853483;FS-2759;SB34335;(6-fluoro-benzo[d]isoxazol-3-yl)-amine;FT-0645934;A881427

Chemical Property of 6-Fluorobenzo[d]isoxazol-3-ylamine

Chemical Property:

• Boiling Point: 315.014 °C at 760 mmHg
• PKA: 1.42±0.30(Predicted)
• Flash Point: 144.316 °C
• PSA: 52.05000
• Density: 1.434 g/cm³
• LogP: 2.13030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 152.03859095
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

6-Fluorobenzo[d]isoxazol-3-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)ON=C2N

Technology Process of 6-Fluorobenzo[d]isoxazol-3-ylamine

There total 2 articles about 6-Fluorobenzo[d]isoxazol-3-ylamine 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: 25.0%

acetylhydroxamic acid (546-88-3) + 2,4-difluorobenzonitrile (3939-09-1,103496-86-2) → 6-fluoro-3-amino-1,2-benzisoxazole (177995-38-9)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide;

DOI:10.1016/0040-4039(96)00425-X

Reference yield:

2,4-difluorobenzonitrile (3939-09-1,103496-86-2) → 6-fluoro-3-amino-1,2-benzisoxazole (177995-38-9)

Guidance literature:

2,4-difluorobenzonitrile; With oxime resin; potassium tert-butylate; In tetrahydrofuran; at 55 ℃; for 12h;

With hydrogenchloride; trifluoroacetic acid; at 55 ℃; for 2h; Further stages.;

DOI:10.1021/jo991263i

upstream raw materials:

acetylhydroxamic acid

2,4-difluorobenzonitrile

Refernces

• 1、 Lepore, Salvatore D.,Wiley, Michael R.. "Studies on the synthetic compatibility of aryloxime linkers in the solid-phase synthesis of 3-aminobenzisoxazoles". . p. 2924 - 2932. Retrieved 2007/10/03.