6-Methoxybenzo[d]isoxazol-3-amine

Base Information

• Chemical Name: 6-Methoxybenzo[d]isoxazol-3-amine
• CAS No.: 157368-82-6
• Molecular Formula: C8H8 N2 O2
• Molecular Weight: 164.164
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80443330
• Nikkaji Number: J725.573J
• Wikidata: Q72438647
• Mol file: 157368-82-6.mol

Synonyms:157368-82-6;6-methoxybenzo[d]isoxazol-3-amine;6-methoxy-1,2-benzoxazol-3-amine;3-amino-6-methoxy-1,2-benzisoxazole;1,2-Benzisoxazol-3-amine,6-methoxy-(9CI);6-Methoxy-benzo[d]isoxazol-3-ylamine;SCHEMBL6952286;DTXSID80443330;UYWCFQVFVCXHCP-UHFFFAOYSA-N;6-Methoxy-1,2-benzisoxazol-3-amine;1,2-benzisoxazol-3-amine,6-methoxy-;AKOS016013410;6-methoxy-1,2-benzisoxazol-3-ylamine;(6-methoxy-benzo[d]isoxazol-3-yl)-amine;BS-21568;CS-0146447;FT-0764046;E84748;EN300-190454;Z1216820032

Chemical Property of 6-Methoxybenzo[d]isoxazol-3-amine

Chemical Property:

• Boiling Point: 348.9±22.0 °C(Predicted)
• PKA: 2.92±0.30(Predicted)
• PSA: 62.01000
• Density: 1.304±0.06 g/cm3(Predicted)
• LogP: 1.34870
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

6-Methoxy-1,2-benzoxazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=NO2)N

Technology Process of 6-Methoxybenzo[d]isoxazol-3-amine

There total 10 articles about 6-Methoxybenzo[d]isoxazol-3-amine 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: 72.0%

4-methoxy-2-nitro-benzonitrile (38469-83-9) → 6-methoxy-3-amino-1,2-benzisoxazole (157368-82-6)

Guidance literature:

With acetylhydroxamic acid; potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 56.0%

acetylhydroxamic acid (546-88-3) + 2-fluoro-4-methoxyphenyl nitrile (94610-82-9) → 6-methoxy-3-amino-1,2-benzisoxazole (157368-82-6)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; for 5h;

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

Reference yield: 55.0%

acetylhydroxamic acid (546-88-3) + 4-methoxy-2-nitro-benzonitrile (38469-83-9) → 6-methoxy-3-amino-1,2-benzisoxazole (157368-82-6)

Guidance literature:

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

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

upstream raw materials:

acetylhydroxamic acid

4-methoxy-2-nitro-benzonitrile

2-fluoro-4-methoxyphenyl nitrile

4-methoxy-2-(4-phenylcyclohexanoneoxime)-benzonitrile

Refernces

• 1、 Lepore, Salvatore D,Wiley, Michael R. "Application of aryloximes as solid-phase ketone linkers.". . p. 7 - 10. Retrieved 2007/10/03.
• 2、 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.