5,6-Dimethoxybenzo[c]isoxazole

Base Information

• Chemical Name: 5,6-Dimethoxybenzo[c]isoxazole
• CAS No.: 148495-00-5
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• DSSTox Substance ID: DTXSID50566065
• Wikidata: Q82451506
• Mol file: 148495-00-5.mol

Synonyms:5,6-Dimethoxybenzo[c]isoxazole;148495-00-5;5,6-dimethoxy-2,1-benzoxazole;2,1-Benzisoxazole, 5,6-dimethoxy-;5,6-dimethoxyanthranil;DTXSID50566065;AKOS016012672;AS-61211;D92897;A903390

Chemical Property of 5,6-Dimethoxybenzo[c]isoxazole

Chemical Property:

• PSA: 44.49000
• LogP: 1.84500
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dimethoxybenzo[c]isoxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=CON=C2C=C1OC

Technology Process of 5,6-Dimethoxybenzo[c]isoxazole

There total 2 articles about 5,6-Dimethoxybenzo[c]isoxazole 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: 59.0%

6-nitroveratraldehyde (20357-25-9) → 5,6-dimethoxy-2,1-benzoisoxazole (148495-00-5)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In water; acetone; at 20 ℃; Electrochemical reaction;

DOI:10.1039/c9cc06054e

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → 5,6-dimethoxy-2,1-benzoisoxazole (148495-00-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / 70percent HNO₃ / 0 deg C -> room temperature, 1 h

2: 54 percent / Sn, AcOH / 20 h / Ambient temperature

With tin; nitric acid; acetic acid;

DOI:10.1021/jo00067a013

Reference yield: 92.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + N-benzyloxy-α-methyl-α-bromopropionamide (1303507-75-6) + 5,6-dimethoxy-2,1-benzoisoxazole (148495-00-5) → 1,1,1,3,3,3-hexafluoropropan-2-yl 2-((1-((benzyloxy)amino)-2-methyl-1-oxopropan-2-yl)amino)-4,5-dimethoxybenzoate

Guidance literature:

With sodium carbonate; at 50 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c00476

upstream raw materials:

6-nitroveratraldehyde

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

(6,7-dimethoxyquinolin-3-yl)(phenyl)methanone

6,7-dimethoxy-2-phenylquinoline

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