Pent-3-en-2-one

Base Information

• Chemical Name: Pent-3-en-2-one
• CAS No.: 625-33-2
• Molecular Formula: C5H8 O
• Molecular Weight: 84.1179
• Hs Code.: 2914190090
• European Community (EC) Number: 210-888-3
• DSSTox Substance ID: DTXSID0060800
• Wikidata: Q64774214
• Mol file: 625-33-2.mol

Synonyms:pent-3-en-2-one;(Z)-pent-3-ene-2-one;DTXSID0060800;CHEBI:89540;AKOS030228735;FT-0616300;FT-0699602

Chemical Property of Pent-3-en-2-one

Chemical Property:

• Appearance/Colour: colourless liquid with a pungent odour
• Vapor Pressure: 760 mm Hg ( 121 °C)
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 121-124 °C(lit.)
• Flash Point: 70 °c
• PSA: 17.07000
• Density: 0.862 g/mL at 25 °C(lit.)
• LogP: 1.15150
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in Water
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 72

Purity/Quality:

99% ^*data from raw suppliers

3-Penten-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXn
• Hazard Codes: F,Xn
• Statements: 11-21-36/37/38
• Safety Statements: 16-26-33-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=CC(=O)C
• Uses: 3-Penten-2-one was used in the synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C.

Technology Process of Pent-3-en-2-one

There total 57 articles about Pent-3-en-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: 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: 71.0%

3-penten-2-ol (1569-50-2) → 3-penten-2-one (625-33-2)

Guidance literature:

With potassium phosphate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; Cu₂(phenanthroline)₂(μ-Cl)₂Cl₂; oxygen; In acetonitrile; at 20 ℃; for 5h;

DOI:10.1002/adsc.201000290

Reference yield: 59.7%

5,6-dihydro-4-hydroxy-6-methyl-2H-pyran-2-one (33177-29-6) → 3-penten-2-one (625-33-2)

Guidance literature:

In water; at 179.84 ℃; under 25858.1 Torr; Product distribution / selectivity; Inert atmosphere;

upstream raw materials:

2-Methyl-4,5-dihydrofuran

pent-4-en-2-one

Cyclopropyl methyl ketone

propene

Downstream raw materials:

methyl-ethyl-propenyl-carbinol

4-methylhexan-2-one

4-methyl-2-pentanone

2-methyl-pent-3-en-2-ol