Isoxazolo[5,4-c]pyridin-3-ol

Base Information

• Chemical Name: Isoxazolo[5,4-c]pyridin-3-ol
• CAS No.: 847996-42-3
• Molecular Formula: C6H4N2O2
• Molecular Weight: 136.10800
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70461144
• Wikidata: Q82285396
• Mol file: 847996-42-3.mol

Synonyms:isoxazolo[5,4-c]pyridin-3-ol;847996-42-3;Isoxazolo[5,4-c]pyridin-3(2H)-one;[1,2]oxazolo[5,4-c]pyridin-3-one;[1,2]oxazolo[5,4-c]pyridin-3-ol;SCHEMBL1650573;DTXSID70461144;CRAFYPVJLKTWET-UHFFFAOYSA-N;MFCD12827779;AKOS005072786;AKOS022171587;FD-0722;FT-0729405

Chemical Property of Isoxazolo[5,4-c]pyridin-3-ol

Chemical Property:

• Melting Point: <270℃
• PSA: 58.89000
• LogP: 0.51610
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.027277375
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

Isoxazolo[5,4-c]pyridin-3-ol >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1C(=O)NO2

Technology Process of Isoxazolo[5,4-c]pyridin-3-ol

There total 1 articles about Isoxazolo[5,4-c]pyridin-3-ol 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: 96.0%

3,N-dihydroxy-isonicotinamide (89640-77-7) → isoxazolo[5,4-c]pyridin-3-ol (847996-42-3)

Guidance literature:

3,N-dihydroxy-isonicotinamide; With 1,1'-carbonyldiimidazole; In DMF (N,N-dimethyl-formamide); at 20 ℃;

With hydrogenchloride; water; pH=4.5; Product distribution / selectivity;

Reference yield: 94.1%

isoxazolo[5,4-c]pyridin-3-ol (847996-42-3) + benzyl bromide (100-39-0) → 6-benzyl-3-hydroxy-isoxazolo[5,4-c]pyridin-6-ium bromide (847996-43-4)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; for 24h;

upstream raw materials:

3,N-dihydroxy-isonicotinamide

Downstream raw materials:

6-benzyl-3-hydroxy-isoxazolo[5,4-c]pyridin-6-ium bromide