3-Pyridineethanol

Base Information

• Chemical Name: 3-Pyridineethanol
• CAS No.: 6293-56-7
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933399090
• NSC Number: 8965
• UNII: 4ZE9P33Y7Q
• DSSTox Substance ID: DTXSID30212134
• Nikkaji Number: J85.672J
• Wikidata: Q27260709
• Mol file: 6293-56-7.mol

Synonyms:3-Pyridineethanol;6293-56-7;3-(2-Hydroxyethyl)pyridine;2-(Pyridin-3-yl)ethanol;2-(3-pyridyl)ethan-1-ol;2-pyridin-3-ylethanol;2-(3-Pyridyl)-1-ethanol;2-(3-Pyridyl)ethanol;2-(Pyridin-3-Yl)Ethan-1-Ol;3-Pyridylethanol;Pyridyl-3-methylcarbinol;3-(Hydroxyethyl)pyridine;NSC 8965;BRN 0111287;UNII-4ZE9P33Y7Q;4ZE9P33Y7Q;NSC-8965;MFCD00831047;4-21-00-00521 (Beilstein Handbook Reference);3-pyridinethanol;NSC8965;3-Pyridin-ethanol;2-pyrid-3-ylethanol;2-(3-pyridinyl)ethanol;2-(pyrid-3-yl)ethanol;SCHEMBL177933;DTXSID30212134;CHEBI:195073;2-(.BETA.-PYRIDYL)ETHANOL;AKOS009158109;AM81317;FG-0429;3-(2-hydroxyethyl)pyridine, AldrichCPR;BP-10601;SY004170;LS-131562;CS-0139429;FT-0608564;EN300-69687;J-505832;Q27260709;Z992949518

Chemical Property of 3-Pyridineethanol

Chemical Property:

• Vapor Pressure: 0.0185mmHg at 25°C
• Melting Point: 135 °C
• Refractive Index: 1.539
• Boiling Point: 242.2 °C at 760 mmHg
• PKA: 14.60±0.10(Predicted)
• Flash Point: 100.3 °C
• PSA: 33.12000
• Density: 1.09 g/cm³
• LogP: 0.61640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 75.3

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Hydroxyethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CCO
• Uses: 3-(2-HYDROXYETHYL)PYRIDINE is used in the preparation of allosteric modulators of metabotropic glutamate receptor 2 (mGluR2). 3-Pyridineethanol is used in the preparation of allosteric modulators of metabotropic glutamate receptor 2 (mGluR2).

Technology Process of 3-Pyridineethanol

There total 21 articles about 3-Pyridineethanol 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%

pyridin-3-yl-acetic acid ethyl ester (39931-77-6) → 3-pyridinylethanol (6293-56-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;

DOI:10.2147/IJN.S212045

Reference yield: 95.5%

3-pyridineacetic acid hydrochloride (6419-36-9) → 3-pyridinylethanol (6293-56-7)

Guidance literature:

Reference yield: 95.0%

2,2,2-trichloro-1-(pyridin-3-yl)ethan-1-ol (67916-20-5,138625-23-7,138625-24-8) → 3-pyridinylethanol (6293-56-7)

Guidance literature:

With lithium borohydride; sodium hydroxide; In isopropyl alcohol; Temperature; Heating; Inert atmosphere;

DOI:10.1002/ejoc.201501089

upstream raw materials:

2-pyridin-3-ylethylamine

methyl pyridine-3-acetate

3-vinylpyridine

pyridin-3-yl-acetic acid ethyl ester

Downstream raw materials:

3-vinylpyridine

cis-2-(3-pyridyl)cyclopropanemethanol

trans-2-(3-pyridyl)cyclopropanemethanol

cis-2-(3-pyridyl)cyclopropanecarboxamide

Refernces

• 1、 Emmetiere, Fabien,Grenning, Alexander J.. "Functional Group Interconversion of Alkylidenemalononitriles to Primary Alcohols by a Cooperative Redox Operation". . p. 3077 - 3085. Retrieved 2020/08/10.
• 2、 Yasuno, Takumi,Ohe, Tomoyuki,Ikeda, Hitomi,Takahashi, Kyoko,Nakamura, Shigeo,Mashino, Tadahiko. "Synthesis and antitumor activity of novel pyridinium fullerene derivatives". . p. 6325 - 6337. Retrieved 2019/08/28.