6-Ethyltetrahydro-2H-pyran-2-one

Base Information

• Chemical Name: 6-Ethyltetrahydro-2H-pyran-2-one
• CAS No.: 3301-90-4
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2932999099
• European Community (EC) Number: 221-972-4
• UNII: OZ5EZ8P4NT
• DSSTox Substance ID: DTXSID10863148
• Nikkaji Number: J100.354B
• Wikidata: Q27285924
• Mol file: 3301-90-4.mol

Synonyms:6-Ethyltetrahydro-2H-pyran-2-one;3301-90-4;6-ethyloxan-2-one;delta-heptalactone;2H-Pyran-2-one, 6-ethyltetrahydro-;.delta.-Heptalactone;Hepta-1,5-lactone;EINECS 221-972-4;OZ5EZ8P4NT;5-Hydroxyheptanoic acid lactone;Heptanoic acid, 5-hydroxy-, .delta.-lactone;5-heptanolide;Heptalactone Delta;.delta.-Heptanolide;UNII-OZ5EZ8P4NT;.DELTA.-HEPTANOLACTONE;SCHEMBL919276;6-ethyl-tetrahydro-pyran-2-one;DTXSID10863148;(+/-)-HEPTAN-5-OLIDE;(+/-)-.DELTA.-HEPTALACTONE;SB47777;.DELTA.-HEPTALACTONE, (+/-)-;(+/-)-5-HYDROXYHEPTANOIC ACID LACTONE;A936648;Q27285924

Chemical Property of 6-Ethyltetrahydro-2H-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.0795mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 227 °C at 760 mmHg
• Flash Point: 85.6 °C
• PSA: 26.30000
• Density: 0.974 g/cm³
• LogP: 1.49210
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCCC(=O)O1

Technology Process of 6-Ethyltetrahydro-2H-pyran-2-one

There total 22 articles about 6-Ethyltetrahydro-2H-pyran-2-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: 91.0%

5-oxoheptanal (74327-34-7) → 6-ethyl-tetrahydro-2H-pyran-2-one (3301-90-4)

Guidance literature:

With samarium diiodide; 2-propanethiol; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1021/jo016058t

Reference yield: 76.0%

2-ethylcyclopentanone (64847-88-7) → 6-ethyl-tetrahydro-2H-pyran-2-one (3301-90-4)

Guidance literature:

With MoOBr₃; dihydrogen peroxide; acetic anhydride; acetic acid; at 50 - 70 ℃; for 6h;

Reference yield: 51.0%

(+/-)-Oct-7-en-3-ol (88071-66-3) → 6-ethyl-tetrahydro-2H-pyran-2-one (3301-90-4)

Guidance literature:

With cethyltrimethylammonium permanganate; In chloroform; at 25 ℃; for 3h;

DOI:10.1016/S0040-4039(00)84916-3

upstream raw materials:

N-methylpentanamide

oenanthic acid

2-ethyl-1,6-hexanedioic acid

(+/-)-Oct-7-en-3-ol

Downstream raw materials:

oenanthic acid

(R)-(-)-5-fluoroheptyl benzoate

(S)-7-hydroxy-1-((S)-1-phenyl-ethylamino)-nonan-3-one (S)-cyclohemiacetal

Refernces

• 1、 Qi, Chenxiao,Yang, Shengwen,Gandon, Vincent,Leb?uf, David. "Calcium(II)- And Triflimide-Catalyzed Intramolecular Hydroacyloxylation of Unactivated Alkenes in Hexafluoroisopropanol". supporting information. p. 7405 - 7409. Retrieved 2019/10/02.
• 2、 Barnych, Bogdan,Vatèle, Jean-Michel. "One-Pot Bi(OTf)catalyzed oxidative deprotection of tert -butyldimethyl silyl ethers with TEMPO and co-oxidants". experimental part. p. 2048 - 2052. Retrieved 2011/10/19.