3-(1-Hydroxyethyl)pyridine

Base Information

• Chemical Name: 3-(1-Hydroxyethyl)pyridine
• CAS No.: 4754-27-2
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933399090
• European Community (EC) Number: 225-280-3
• NSC Number: 526489
• UNII: H6E9JKE977
• DSSTox Substance ID: DTXSID20909829
• Nikkaji Number: J262.434F
• Mol file: 4754-27-2.mol

Synonyms:1-(3-pyridyl)ethanol;1-(3-pyridyl)ethanol hydrochloride;1-(3-pyridyl)ethanol tartrate (1:1), (+-)-isomer;1-(3-pyridyl)ethanol tartrate (1:1), (-)-isomer;1-(3-pyridyl)ethanol, (+-)-isomer;1-(3-pyridyl)ethanol, (R)-isomer;1-(3-pyridyl)ethanol, (S)-isomer

Chemical Property of 3-(1-Hydroxyethyl)pyridine

Chemical Property:

• Boiling Point: 239.6 °C at 760 mmHg
• PKA: 13.75±0.20(Predicted)
• Flash Point: 98.7 °C
• PSA: 33.12000
• Density: 1.082 g/cm³
• LogP: 1.13490
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Hydroxyethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CN=CC=C1)O

Technology Process of 3-(1-Hydroxyethyl)pyridine

There total 35 articles about 3-(1-Hydroxyethyl)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: 100.0%

methyl-3-pyridylketone (350-03-8) → 1-(3-Pyridyl)ethanol (4754-27-2)

Guidance literature:

With zirconium dioxide hydrate; isopropyl alcohol; at 130 ℃; for 0.416667h;

DOI:10.1021/ol400856g

Reference yield: 100.0%

(1R)-1-(3-pyridyl)ethyl acetate (27854-86-0) → (R)-1-(3-pyridyl)ethanol (5096-11-7,10593-35-8,4754-27-2,7606-26-0)

Guidance literature:

With sodium hydroxide; In methanol; for 12h; Ambient temperature;

DOI:10.3987/R-1987-12-3051

Reference yield: 99.1%

methyl-3-pyridylketone (350-03-8) → (R)-1-(3-pyridyl)ethanol (5096-11-7,10593-35-8,4754-27-2,7606-26-0)

Guidance literature:

With C₅₀H₆₈FeN₄P₂⁽²⁺⁾*2BF₄^(1-); sodium t-butanolate; In isopropyl alcohol; at 50 ℃; for 1h; Reagent/catalyst; Temperature; enantioselective reaction; Glovebox; Schlenk technique;

DOI:10.1002/anie.201501807

upstream raw materials:

methyl-3-pyridylketone

2-oxo-2-(3-pyridyl)ethyl acetate

3-ethylpyridine

water

Downstream raw materials:

(S)-3-(1-hydroxyethyl)pyridine

(1R)-1-(3-pyridyl)ethyl acetate

(R)-1-(3-pyridyl)ethanol

(S)-1-(4-pyridyl)ethanol

Refernces

• 1、 Blanco, Matías,Cembellín, Sara,Agnoli, Stefano,Alemán, José. "Ruthenium-p-cymene Complex Side-Wall Covalently Bonded to Carbon Nanotubes as Efficient Hybrid Transfer Hydrogenation Catalyst". . p. 5156 - 5165. Retrieved 2021/11/05.
• 2、 Du, Tian,Wang, Biwen,Wang, Chao,Xiao, Jianliang,Tang, Weijun. "Cobalt-catalyzed asymmetric hydrogenation of ketones: A remarkable additive effect on enantioselectivity". supporting information. p. 1241 - 1244. Retrieved 2020/10/02.