3-Methyl-[1,2]oxazolo[5,4-c]pyridine

Base Information

• Chemical Name: 3-Methyl-[1,2]oxazolo[5,4-c]pyridine
• CAS No.: 83431-06-5
• Molecular Formula: C₇H₆N₂O
• Molecular Weight: 134.137
• DSSTox Substance ID: DTXSID20416048
• Nikkaji Number: J685.028F
• Mol file: 83431-06-5.mol

Synonyms:83431-06-5;3-methyl-[1,2]oxazolo[5,4-c]pyridine;Isoxazolo[5,4-c]pyridine, 3-methyl-;3-METHYL-ISOXAZOLO[5,4-C]PYRIDINE;SCHEMBL8286072;DTXSID20416048;3-Methylisoxazolo[5,4-c]pyridine;MFCD13175759;Isoxazolo[5,4-c]pyridine,3-methyl-;AKOS024461877;NS-01058;EN300-120983;Z1255459053;InChI=1/C7H6N2O/c1-5-6-2-3-8-4-7(6)10-9-5/h2-4H,1H

Chemical Property of 3-Methyl-[1,2]oxazolo[5,4-c]pyridine

Chemical Property:

• Melting Point: 98-101 °C
• Boiling Point: 264.4±20.0 °C(Predicted)
• Density: 1.229±0.06 g/cm3(Predicted)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.048012819
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

3-methyl-isoxazolo[5,4-c]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC2=C1C=CN=C2

Technology Process of 3-Methyl-[1,2]oxazolo[5,4-c]pyridine

There total 4 articles about 3-Methyl-[1,2]oxazolo[5,4-c]pyridine 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: 66.0%

1-(3-hydroxypyridin-4-yl)ethan-1-one (30152-05-7) → 2-methyloxozalo<5,4-c>pyridine (83431-05-4) + 3-methylisooxozolo<5,4-c>pyridine (83431-06-5) + 1-(3-Hydroxy-pyridin-4-yl)-ethanone oxime (83431-04-3)

Guidance literature:

With hydroxylamine-O-sulfonic acid; In diethyl ether; water; for 5h; Ambient temperature;

Reference yield:

methyl 3-methoxy-4-pyridinecarboxylate (59786-32-2) → 3-methylisooxozolo<5,4-c>pyridine (83431-06-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) sodium methoxide, 2.) conc. HCl / 1.) 18 h, reflux, 2.) 3 h, reflux

2: 73 percent / 48percent aq. HBr / 24 h / Heating

3: 27 percent / hydroxylammonium O-sulphonate / H₂O; diethyl ether / 5 h / Ambient temperature

With hydrogenchloride; hydrogen bromide; sodium methylate; hydroxylamine-O-sulfonic acid; In diethyl ether; water;

Reference yield:

1-(3-methoxypyridin-4-yl)-ethanone (83431-02-1) → 3-methylisooxozolo<5,4-c>pyridine (83431-06-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / 48percent aq. HBr / 24 h / Heating

2: 27 percent / hydroxylammonium O-sulphonate / H₂O; diethyl ether / 5 h / Ambient temperature

With hydrogen bromide; hydroxylamine-O-sulfonic acid; In diethyl ether; water;

upstream raw materials:

1-(3-hydroxypyridin-4-yl)ethan-1-one

methyl 3-methoxy-4-pyridinecarboxylate

1-(3-methoxypyridin-4-yl)-ethanone

Downstream raw materials:

2-methyloxozalo<5,4-c>pyridine