2H-Pyran-3(6H)-one

Base Information

• Chemical Name: 2H-Pyran-3(6H)-one
• CAS No.: 98166-23-5
• Molecular Formula: C5H6O2
• Molecular Weight: 98.1014
• Hs Code.: 2932999099
• European Community (EC) Number: 862-298-6
• DSSTox Substance ID: DTXSID70405427
• Nikkaji Number: J1.808.985H
• Mol file: 98166-23-5.mol

Synonyms:2H-Pyran-3(6H)-one;98166-23-5;2H-pyran-5-one;3,6-dihydro-2H-pyran-3-one;MFCD07186238;pyran-5-one;DTXSID70405427;YYRYKNXDWXDXSN-UHFFFAOYSA-N;AMY23659;AKOS006286515;SB23014;AS-56997;SY117397;CS-0051593;FT-0708199;EN300-212835;O10790

Chemical Property of 2H-Pyran-3(6H)-one

Chemical Property:

• Boiling Point: 51-53 °C(Press: 3-4 Torr)
• PSA: 26.30000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 0.14190
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 98.036779430
• Heavy Atom Count: 7
• Complexity: 105

Purity/Quality:

98%Min ^*data from raw suppliers

2H-Pyran-3(6H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC(=O)CO1

Technology Process of 2H-Pyran-3(6H)-one

There total 10 articles about 2H-Pyran-3(6H)-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: 97.0%

3,6-dihydro-2H-pyran-3-ol (445378-38-1) → 2H-pyran-3(6H)-one (98166-23-5)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 5h;

Reference yield: 69.0%

1-(prop-2-en-1-yloxy)but-3-en-2-one (497063-16-8) → 2H-pyran-3(6H)-one (98166-23-5)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane; at 50 ℃; for 12h;

DOI:10.1016/S0040-4039(02)01544-7

Reference yield: 26.0%

2-(3-Propinyloxy)-acetaldehyddiethylacetal (98166-29-1) → (2-Oxopropoxy)-acetaldehyd + 2H-pyran-3(6H)-one (98166-23-5)

Guidance literature:

boron trifluoride diethyl etherate; mercury(II) oxide; trichloroacetic acid; In methanol; for 2h; Ambient temperature;

DOI:10.1002/ardp.19853180613

upstream raw materials:

2-(3-Propinyloxy)-acetaldehyddiethylacetal

1-(prop-2-en-1-yloxy)but-3-en-2-one

3,6-dihydro-2H-pyran-3-ol

1-(allyloxy)butyl-3-ene-2-ol

Downstream raw materials:

5,6-dihydro-2H-pyran-3(4H)-one

benzyl N-(5-hydroxyoxan-3-yl)carbamate

5-amino-tetrahydro-2H-pyran-3-ol

(5-oxo-tetrahydro-pyran-3-yl)-carbamic acid benzyl ester

Refernces

• 1、 -. "SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH". Page/Page column 79; 80. . Retrieved 2012/11/07.
• 2、 Claessens, Sven,Naidoo, Dashnie,Mulholland, Dulcie,Verschaeve, Luc,Van Staden, Johannes,De Kimpe, Norbert. "Synthesis of pyranonaphthoquinone antibiotics involving the phthalide annulation strategy". . p. 621 - 623. Retrieved 2007/10/03.