3-Formylpyridine 1-oxide

Base Information

• Chemical Name: 3-Formylpyridine 1-oxide
• CAS No.: 22346-73-2
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.10900
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID60424167
• Nikkaji Number: J1.180.229J
• Mol file: 22346-73-2.mol

Synonyms:3-Formylpyridine 1-oxide;22346-73-2;1-oxidopyridin-1-ium-3-carbaldehyde;3-Formylpyridine1-oxide;3-PYRIDINECARBOXALDEHYDE, 1-OXIDE;Nicotinaldehyde N-oxide;3-Pyridinecarbaldehyde 1-oxide;SCHEMBL4071509;3-pyridinecarboxaldehyde 1-oxide;DTXSID60424167;AKOS016012498;BS-16019;O11007;Pyridine-3-carboxaldehyde N-oxide, 3-Formylpyridine N-oxide, 3-Formylpyridinium-1-olate

Chemical Property of 3-Formylpyridine 1-oxide

Chemical Property:

• PSA: 42.53000
• LogP: 0.92760
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99.3% ^*data from raw suppliers

3-Formylpyridine1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)[O-])C=O

Technology Process of 3-Formylpyridine 1-oxide

There total 6 articles about 3-Formylpyridine 1-oxide 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: 92.0%

3-(dihydroxymethyl)pyridine-N-oxide (76037-08-6) → pyridine-3-carboxaldehyde N-oxide (22346-73-2)

Guidance literature:

at 60 ℃; for 2h; under 0.180014 Torr;

DOI:10.1016/S0040-4020(99)00746-2

Reference yield: 70.0%

3-pyridinecarbaldehyde diacetate 1-oxide (114951-35-8) → pyridine-3-carboxaldehyde N-oxide (22346-73-2)

Guidance literature:

With acetic acid; for 8h; Heating;

Reference yield:

3-pyridine carbaldehyde diacetate (114951-44-9) → pyridine-3-carboxaldehyde N-oxide (22346-73-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / m-chloroperbenzoic acid (m-CPBA) / CHCl₃ / 12 h / Ambient temperature

2: 70 percent / AcOH-H₂O / 8 h / Heating

With acetic acid; 3-chloro-benzenecarboperoxoic acid; In chloroform;

upstream raw materials:

1,2-bis-(1-oxy-[3]pyridyl)-ethane-1,2-diol

3-(dihydroxymethyl)pyridine-N-oxide

3-pyridinecarbaldehyde diacetate 1-oxide

3-pyridine carbaldehyde diacetate

Downstream raw materials:

3-pyridinecarboxaldehyde N-oxide phenylhydrazone

Refernces

• 1、 Dyker, Gerald,Hoelzer, Bettina. "Chemoselective N-oxidation of picolinaldehydes with dimethyldioxirane". . p. 12557 - 12562. Retrieved 2007/10/03.