4-Ethylpyridine 1-oxide

Base Information

• Chemical Name: 4-Ethylpyridine 1-oxide
• CAS No.: 14906-55-9
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• European Community (EC) Number: 238-973-0
• Nikkaji Number: J101.116B
• Wikidata: Q81992435
• Mol file: 14906-55-9.mol

Synonyms:4-Ethylpyridine 1-oxide;14906-55-9;4-ethyl-1-oxidopyridin-1-ium;4-Ethylpyridine N-oxide;4-Ethylpyridin-1-ium-1-olate;Pyridine, 4-ethyl-, 1-oxide;4-Ethylpyridine-1-oxide;SCHEMBL1434203;EINECS 238-973-0;AKOS006271607;CS-0224353;FT-0668374;EN300-119059;AC-907/25004702

Chemical Property of 4-Ethylpyridine 1-oxide

Chemical Property:

• Vapor Pressure: 0.00552mmHg at 25°C
• Melting Point: 100-120 °C
• Refractive Index: 1.508
• Boiling Point: 283.1 °C at 760 mmHg
• PKA: 1.30±0.10(Predicted)
• Flash Point: 125 °C
• PSA: 25.46000
• Density: 0.99 g/cm³
• LogP: 1.67750
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylpyridine1-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=[N+](C=C1)[O-]
• Uses: 4-Ethylpyridine 1-Oxide (cas# 14906-55-9) is a compound useful in organic synthesis.

Technology Process of 4-Ethylpyridine 1-oxide

There total 6 articles about 4-Ethylpyridine 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: 100.0%

4-Ethylpyridine (536-75-4,151103-55-8) → 4-ethylpyridine-1-oxide (14906-55-9)

Guidance literature:

With dihydrogen peroxide; In acetic acid; for 24h; Heating;

DOI:10.1021/jo00289a058

Reference yield: 64.0%

4-Ethylpyridine (536-75-4,151103-55-8) → rac-1-(pyridin-4-yl)ethanol (23389-75-5,42732-22-9) + 4-ethylpyridine-1-oxide (14906-55-9)

Guidance literature:

With (S)-2-[3]pyridyl-pyrrolidine-1-carboxylic acid amide; sodium phosphate buffer; α-D-glucose 6-phosphate; NADP; magnesium chloride; In water; at 37 ℃; for 1h; biotransformation with phenobarbital-pretreated rat-liver (S-9);

DOI:10.3987/COM-95-S92

Reference yield:

4-(4'-N,N-dimethylaminostyryl)pyridine N-oxide (26708-23-6) + C24H20B(1-)*C9H12NO2(1+) → 4-ethylpyridine-1-oxide (14906-55-9) + 1-acetyloxy-4-(4'-N,N-dimethylaminostyryl)pyridinium tetraphenylborate

Guidance literature:

In acetonitrile; at 24.85 ℃; Kinetics; Equilibrium constant;

DOI:10.1023/A:1013919523997

upstream raw materials:

4-Ethylpyridine

4-methoxypyridine N-oxide

4-(morpholin-4-yl)pyridine N-oxide

4-(4'-N,N-dimethylaminostyryl)pyridine N-oxide

Downstream raw materials:

4-acetylpyridine N-oxide

2-cyano-4-ethylpyridine

trimethylamine

4-Ethylpyridine

Refernces

• 1、 Rubachenko,Schroeder,Chotii,Kovalenko,Red'ko,Lenska. "Equilibrium of acyl transfer between pyridine N-oxides and their acylonium salts". . p. 1241 - 1246. Retrieved 2008/12/22.
• 2、 -. "Alpha-substituted pyrimidine-thioalkyl and alkylether compounds as inhibitors of viral reverse transcriptase". . . Retrieved 2008/06/13.