5-Ethylpyridin-2-ol

Base Information

• Chemical Name: 5-Ethylpyridin-2-ol
• CAS No.: 53428-03-8
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933399090
• European Community (EC) Number: 867-226-7
• DSSTox Substance ID: DTXSID10598403
• Wikidata: Q72477052
• Mol file: 53428-03-8.mol

Synonyms:5-Ethylpyridin-2-ol;53428-03-8;5-Ethyl-2-pyridine alcohol;5-ethyl-1H-pyridin-2-one;5-Ethyl-pyridin-2-ol;5-Ethylpyridin-2(1H)-one;5-ETHYL-2-PYRIDINOL;5-ethyl-2-pyridone;5-ethyl-2-(1H)-pyridone;SCHEMBL313756;DTXSID10598403;ORMQFHJGBAPKHK-UHFFFAOYSA-N;MFCD06658539;AKOS006335677;SB37547;AS-30714;DB-071682;CS-0128174;A870729

Chemical Property of 5-Ethylpyridin-2-ol

Chemical Property:

• Vapor Pressure: 0.000727mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 307.4 °C at 760 mmHg
• Flash Point: 174.6 °C
• PSA: 33.12000
• Density: 1.016 g/cm³
• LogP: 1.34960
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

5-Ethyl-2-pyridineAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CNC(=O)C=C1
• Uses: 5-Ethyl-2-pyridine Alcohol is a reagent used in the preparation of benzisoxazole sulfonamides in the treatment of diseases.

Technology Process of 5-Ethylpyridin-2-ol

There total 3 articles about 5-Ethylpyridin-2-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: 56.0%

5-ethyl-2-methoxypyridine (847345-18-0) → 5-ethyl-1H-pyridin-2-one (53428-03-8)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃;

Reference yield: 30.0%

butyraldehyde (123-72-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 5-ethyl-1H-pyridin-2-one (53428-03-8)

Guidance literature:

butyraldehyde; acrylic acid methyl ester; With morpholine; potassium carbonate; In xylene; at 75 - 80 ℃; for 12h;

With acetic acid; In xylene; at 75 - 80 ℃; for 4h;

With ammonium acetate; sulfur; Reflux;

Reference yield:

2-methoxy-5-bromopyridine (13472-85-0,1199266-76-6) → 5-ethyl-1H-pyridin-2-one (53428-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 1.5 h / -78 °C / Inert atmosphere

1.2: 0.83 h / -78 - 20 °C

2.1: hydrogenchloride / water / 100 °C

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane; water;

upstream raw materials:

butyraldehyde

acrylic acid methyl ester

2-methoxy-5-bromopyridine

5-ethyl-2-methoxypyridine

Downstream raw materials:

5-ethyl-1-phenyl-2-(1H) pyridone

Refernces

• 1、 -. "METHOD OF MAKING A PYRIDONE COMPOUND, 5-ETHYL-1-PHENYL-2-(1H)-PYRIDONE, AND INTERMEDIATES THEREOF". Page/Page column 10-11. . Retrieved 2012/08/28.