Pentyl 4-oxovalerate

Base Information

• Chemical Name: Pentyl 4-oxovalerate
• CAS No.: 20279-49-6
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• Hs Code.: 2918300090
• European Community (EC) Number: 243-675-9
• DSSTox Substance ID: DTXSID20174131
• Nikkaji Number: J43.373J
• Wikidata: Q63398011
• Mol file: 20279-49-6.mol

Synonyms:Pentyl 4-oxovalerate;Pentyl 4-oxopentanoate;Pentyl levulinate;20279-49-6;Pentanoic acid, 4-oxo-, pentyl ester;N-Amyl levulinate;EINECS 243-675-9;amyl levulinate;Lavulinsaure-amylester;Levulinic acid, pentyl ester;SCHEMBL875181;DTXSID20174131;4-oxo-pentanoic acid pentyl ester;AKOS006273668;Q63398011

Chemical Property of Pentyl 4-oxovalerate

Chemical Property:

• Vapor Pressure: 0.0133mmHg at 25°C
• Refractive Index: 1.43
• Boiling Point: 259 °C at 760 mmHg
• Flash Point: 107.2 °C
• PSA: 43.37000
• Density: 0.959 g/cm³
• LogP: 2.08900
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

AMYL LEVULINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)CCC(=O)C

Technology Process of Pentyl 4-oxovalerate

There total 6 articles about Pentyl 4-oxovalerate 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: 96.21%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + pentan-1-ol (71-41-0) + 1-pentyl acetate (628-63-7) → pentyl 4-oxopentanoate (20279-49-6)

Guidance literature:

With Nafion-H; In water; at 20 - 95 ℃; for 5.5h;

Reference yield: 94.0%

pentan-1-ol (71-41-0) + levulinic acid (123-76-2) → pentyl 4-oxopentanoate (20279-49-6)

Guidance literature:

With Silica-supported propylsulfonic acid; air; In neat (no solvent); at 100 ℃; for 2h; Reagent/catalyst; Temperature; Molecular sieve; Sealed tube;

DOI:10.3762/bjoc.12.207

Reference yield: 87.9%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + pentan-1-ol (71-41-0) → pentyl 4-oxopentanoate (20279-49-6)

Guidance literature:

With graphene oxide; at 120 ℃; for 6h; Autoclave;

DOI:10.1002/cctc.201402574

upstream raw materials:

(2-furyl)methyl alcohol

pentan-1-ol

formic acid

1-penten

Refernces

• 1、 Gupta, Shyam Sunder R.,Kantam, Mannepalli Lakshmi. "Catalytic conversion of furfuryl alcohol or levulinic acid into alkyl levulinates using a sulfonic acid-functionalized hafnium-based MOF". . p. 62 - 66. Retrieved 2019.
• 2、 . "Green syntheses of levulinate esters using ionic liquid 1-Methyl imidazolium hydrogen sulphate [MIM][HSO4] in solvent free system". . . Retrieved .
• 3、 Serrao, Reena Saritha,Mohamed Shamshuddin,D'Souza, Joyce. "Catalytic synthesis of levulinate esters over zirconia and its modified forms coated on honeycomb monoliths: Green synthesis". . p. 1993 - 1999. Retrieved 2019.