4-Penten-2-one

Base Information

• Chemical Name: 4-Penten-2-one
• CAS No.: 13891-87-7
• Molecular Formula: C5H8 O
• Molecular Weight: 84.1179
• Hs Code.: 2914190090
• UNII: 4CUM84CQ9J
• DSSTox Substance ID: DTXSID50160840
• Nikkaji Number: J102.016A
• Wikidata: Q27159683
• Metabolomics Workbench ID: 5440
• Mol file: 13891-87-7.mol

Synonyms:4-Penten-2-one;pent-4-en-2-one;13891-87-7;Allyl methyl ketone;Vinyl acetone;4CUM84CQ9J;vinylacetone;Methyl allyl ketone;1-Penten-4-one;UNII-4CUM84CQ9J;CH3C(O)CH2CH=CH2;CHEBI:87508;PNJWIWWMYCMZRO-UHFFFAOYSA-;DTXSID50160840;AMY31929;LMFA12000034;AKOS005138063;EN300-126905;Q27159683

Chemical Property of 4-Penten-2-one

Chemical Property:

• Vapor Pressure: 48.5mmHg at 25°C
• Refractive Index: 1.4210
• Boiling Point: 93.9°Cat760mmHg
• Flash Point: 10.8°C
• PSA: 17.07000
• Density: 0.814g/cm³
• LogP: 1.15150
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 64.3

Purity/Quality:

98% or more ^*data from raw suppliers

PENT-4-EN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC=C

Technology Process of 4-Penten-2-one

There total 28 articles about 4-Penten-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: 85.0%

Pent-4-en-2-ol (111957-98-3,625-31-0) → pent-4-en-2-one (13891-87-7)

Guidance literature:

With sodium periodate; sodium dichromate; sulfuric acid; In chloroform; at 22 ℃; for 6.5h;

Reference yield: 74.0%

Pent-4-en-2-ol (111957-98-3,625-31-0) → pent-4-en-2-one (13891-87-7) + 3-penten-2-one (625-33-2) + 2-pentene-1,4-dione (34218-21-8,34218-22-9,5729-47-5)

Guidance literature:

With tetrapropylammonium perruthennate; In dichloromethane; at 20 ℃; for 8h; Molecular sieve;

DOI:10.1016/j.tet.2018.05.068

Reference yield: 61.0%

allyltributylstanane (24850-33-7) + acetyl chloride (75-36-5) → pent-4-en-2-one (13891-87-7) + acetic acid-(1-allyl-1-methyl-but-3-enyl ester) (88974-44-1)

Guidance literature:

With dibutyltin chloride; tetraethylammonium chloride; at 20 ℃; for 24h;

upstream raw materials:

pent-1-en-4-yne

acetic anhydride

allylmagnesium bromide

allyl iodid

Downstream raw materials:

4-methylhept-1-en-4-ol

3-penten-2-one

2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester

1-phenylhexane-1,5-dione

Refernces

• 1、 Hess et al.. "". . p. 3684,3685. Retrieved 1967.
• 2、 Chiu, Pauline,Wong, Sun Ting. "A convenient preparation of (E)-3-penten-2-one". . p. 4513 - 4516. Retrieved 1998.
• 3、 -. "PROCESS FOR PREPARING PLATINUM ORGANOSILOXANE COMPLEXES USING AN ENONE ADDITIVE". Paragraph 0023. . Retrieved 2019/02/06.
• 4、 -. "INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR IN MELANOMA AND COLON CANCER". Paragraph 0070. . Retrieved 2015/12/30.