Isonicotinaldehyde 1-oxide

Base Information

• Chemical Name: Isonicotinaldehyde 1-oxide
• CAS No.: 7216-42-4
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• Hs Code.: 2933399090
• European Community (EC) Number: 230-602-0
• DSSTox Substance ID: DTXSID80222501
• Nikkaji Number: J227.446I
• Wikidata: Q72503826
• Mol file: 7216-42-4.mol

Synonyms:7216-42-4;4-Pyridinecarboxaldehyde N-oxide;Isonicotinaldehyde 1-oxide;1-oxidopyridin-1-ium-4-carbaldehyde;4-Formylpyridine 1-oxide;4-FORMYLPYRIDIN-1-IUM-1-OLATE;4-Pyridinecarboxaldehyde, 1-oxide;4-Formylpyridine1-oxide;SCHEMBL755245;4-Pyridinecarbaldehyde 1-oxide;4-pyridine carbaldehyde-N-oxide;DTXSID80222501;4-pyridine-carboxaldehyde N-oxide;pyridine-4-carboxaldehyde-1-oxide;AMY16360;EINECS 230-602-0;MFCD00167384;4-Pyridinecarboxaldehyde N-oxide, 97%

Chemical Property of Isonicotinaldehyde 1-oxide

Chemical Property:

• Appearance/Colour: WHITE TO YELLOW POWDER OR CRYSTALS
• Vapor Pressure: 1.35E-05mmHg at 25°C
• Melting Point: 150-152 °C
• Refractive Index: 1.542
• Boiling Point: 367.7 °C at 760 mmHg
• Flash Point: 176.2 °C
• PSA: 42.53000
• Density: 1.16 g/cm³
• LogP: 0.92760
• Solubility.: methylene chloride: soluble25mg/mL, clear, colorless to yellow
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 97.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Pyridinecarboxaldehyde N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C[N+](=CC=C1C=O)[O-]
• Uses: 4-?Pyridinecarboxaldehy?de N-?Oxide is an impurity of Donepezil (D531750), a nootropic. An inhibitor of acetylcholinesterase. Also a reagent in the preparation of pyridine N-oxides.

Technology Process of Isonicotinaldehyde 1-oxide

There total 7 articles about Isonicotinaldehyde 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: 98.0%

pyridine-4-carbaldehyde (872-85-5) → isonicotinaldehyde 1-oxide (7216-42-4)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 20 ℃; for 2h;

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

Reference yield:

4-methylpyridine-1-oxide (1003-67-4) → isonicotinaldehyde 1-oxide (7216-42-4)

Guidance literature:

With selenium(IV) oxide; In pyridine; for 24h; Heating;

DOI:10.1007/s10870-007-9200-2

Reference yield:

→ isonicotinaldehyde 1-oxide (7216-42-4)

Guidance literature:

With lead(IV) acetate; chloroform;

upstream raw materials:

pyridine-4-aldehyde diacetate

pyridin-4-ylmethanediol N-oxide

pyridine-4-carbaldehyde

4-methylpyridine-1-oxide

Downstream raw materials:

N-(4-methoxyphenyl)-1-(pyridin-4-yl)methanimine

4-methoxy-N-(pyridin-4-ylmethyl)benzenamine

pyridine-4-carbaldehyde

5-((1-oxido-4-pyridinyl)methylene)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-4-thiazolidinone

Refernces

• 1、 Hu, Rui-Xiang,Huang, Ling,Liang, Hong,Yu, Kai-Bei. "Hydrogen bonding network assembled with 2-amino-3-hydroxypyridium and isonicotinate-N-oxide". . p. 523 - 526. Retrieved 2008/02/08.
• 2、 -. "Aminooxyamide tricyclic inhibitors of farnesyl-protein transferase". . . Retrieved 2008/06/13.