1-(Oxolan-2-yl)ethan-1-one

Base Information

• Chemical Name: 1-(Oxolan-2-yl)ethan-1-one
• CAS No.: 25252-64-6
• Molecular Formula: C6H10O2
• Molecular Weight: 114.14200
• European Community (EC) Number: 837-252-3
• Mol file: 25252-64-6.mol

Synonyms:1-(oxolan-2-yl)ethan-1-one;25252-64-6;1-(oxolan-2-yl)ethanone;1-tetrahydrofuran-2-ylethanone;1-(tetrahydrofuran-2-yl)ethanone;1-[(2R)-tetrahydrofuran-2-yl]ethanone;1-(tetrahydro-2-furanyl)-ethanone;acetyltetrahydrofuran;2-acetyltetrahydrofuran;Furan, 2-acetyl, tetrahydro;SCHEMBL2321562;MFCD21132114;1-(Tetrahydrofuran-2-yl)ethan-1-one;AKOS014543515;SB45725;SB47322;SB75286;AS-40165;CS-0450373;FT-0660543;FT-0745674;FT-0772721;EN300-86268;Ethanone,1-[(2R)-tetrahydro-2-furanyl]- pound 9CI pound(c)

Chemical Property of 1-(Oxolan-2-yl)ethan-1-one

Chemical Property:

• Vapor Pressure: 1.2mmHg at 25°C
• Boiling Point: 174.5oC at 760 mmHg
• Flash Point: 63.2oC
• PSA: 26.30000
• Density: 1.028g/cm3
• LogP: 0.75440
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 98.7

Purity/Quality:

99%, ^*data from raw suppliers

1-(oxolan-2-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCCO1

Technology Process of 1-(Oxolan-2-yl)ethan-1-one

There total 12 articles about 1-(Oxolan-2-yl)ethan-1-one 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: 67.6%

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) → 1-[(±)-tetrahydro-2-furanyl]ethanone (25252-64-6,666203-86-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In diethyl ether; at 20 ℃; for 5h; under 1551.49 Torr;

Reference yield: 54.0%

2-Methyl-2-(tetrahydro-furan-2-yl)-[1,3]dioxolane (80275-31-6) → 1-[(±)-tetrahydro-2-furanyl]ethanone (25252-64-6,666203-86-7)

Guidance literature:

With sulfuric acid; In water; for 4h; Heating;

Reference yield: 26.0%

methyl tetrahydrofuran-2-carboxylate (37443-42-8) + methylmagnesium bromide (75-16-1) → 1-[(±)-tetrahydro-2-furanyl]ethanone (25252-64-6,666203-86-7)

Guidance literature:

With N,O-dimethylhydroxylamine*hydrochloride; In tetrahydrofuran; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201707171

upstream raw materials:

1-(2-furyl)-1-ethanone

2-Methyl-2-(tetrahydro-furan-2-yl)-[1,3]dioxolane

methylmagnesium chloride

acetic acid

Downstream raw materials:

2-bromo-1-(tetrahydrofuran-2-yl)-ethan-1-one

Refernces

• 1、 -. "TYK2 INHIBITORS AND USES THEREOF". Paragraph 00498-00499. . Retrieved 2017/03/21.
• 2、 Zhang, Jing,Li, Yang,Xu, Ruoyu,Chen, Yiyun. "Donor–Acceptor Complex Enables Alkoxyl Radical Generation for Metal-Free C(sp3)–C(sp3) Cleavage and Allylation/Alkenylation". supporting information. p. 12619 - 12623. Retrieved 2017/09/11.