1-Penten-3-one, 2-methyl-

Base Information

• Chemical Name: 1-Penten-3-one, 2-methyl-
• CAS No.: 25044-01-3
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 2914190090
• European Community (EC) Number: 811-722-8
• UNII: UN317OP2QX
• DSSTox Substance ID: DTXSID1073448
• Nikkaji Number: J129.212I
• Wikidata: Q27291154
• Mol file: 25044-01-3.mol

Synonyms:1-Penten-3-one, 2-methyl-;2-methylpent-1-en-3-one;Isopropenyl ethyl ketone;25044-01-3;2-METHYL-1-PENTEN-3-ONE;Ethyl isopropenyl ketone;UNII-UN317OP2QX;UN317OP2QX;Methylathylacrolein;2-methyl-pent-1-en-3-one;2-Methyl-1-penten-3-one #;DTXSID1073448;AKOS017730239;LS-102191;EN300-2996358;Q27291154

Chemical Property of 1-Penten-3-one, 2-methyl-

Chemical Property:

• Vapor Pressure: 16.6mmHg at 25°C
• Melting Point: -69.5°C
• Refractive Index: 1.4289
• Boiling Point: 118.5°C at 760 mmHg
• Flash Point: 28.2°C
• PSA: 17.07000
• Density: 0.82g/cm³
• LogP: 1.54160
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 92.4

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and skin contact. A severe skin and mild eye irritant.
• Hazard Codes: Moderately toxic by ingestion and skin contact. A severe skin and mild eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(=C)C

Technology Process of 1-Penten-3-one, 2-methyl-

There total 4 articles about 1-Penten-3-one, 2-methyl- 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: 90.0%

(OC)3Fe(CH3COC(C2H5)CH2) (63339-30-0) → tricarbonyl bis(triphenylphosphine) iron (14741-34-5,21255-52-7) + 2-methyl-pent-1-en-3-one (25044-01-3) + dicarbonyl(triphenyl phosphine)[1,2,3,O-η-(2-methyl-1-pentene-3-one)]iron(0) (75701-68-7)

Guidance literature:

With triphenylphosphine; In dichloromethane; (Ar); for 48 h at 50°C; evapd., dissolved in pentane, concd., chromd. (pentane/CH2Cl2), recrystd. (CH2Cl2, -20°C); elem. anal.;

DOI:10.1016/S0022-328X(00)96193-X

Reference yield: 6.8%

2-methyl-2-pentene (625-27-4) → 4-methyl-pent-3-en-2-one (141-79-7) + 2-methyl-pent-1-en-3-one (25044-01-3) + propionaldehyde (123-38-6) + acetone (67-64-1)

Guidance literature:

With oxygen; RhCl(PPh₃)3; In toluene; at 80 ℃; for 1h; under 37503 Torr;

DOI:10.1002/hlca.19830660119

Reference yield:

methanol (67-56-1) + propanoic acid methyl ester (554-12-1) → 2-methyl-pent-1-en-3-one (25044-01-3) + Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) + pentan-3-one (96-22-0)

Guidance literature:

manganese; magnesium oxide; at 400 ℃; for 4h; Product distribution; other catalysts;

DOI:10.1246/cl.1985.819

upstream raw materials:

2-methyl-2-pentene

methanol

propanoic acid methyl ester

(OC)3Fe(CH₃COC(C₂H₅)CH₂)

Downstream raw materials:

2-methyl-pent-1-en-3-one-(2,4-dinitro-phenylhydrazone)

6-Acetyl-3-ethyl-4-methyl-cyclohex-2-en-1-on

4-Benzenesulfinyl-4-(2-hydroxy-ethyl)-2,6-dimethyl-cyclohexane-1,3-dione

1-Benzenesulfinyl-2'-hydroxy-3,5-dimethyl-bicyclohexyl-2,4-dione

Refernces

• 1、 Ueda, Wataru,Kurokawa, Hideki,Moro-Oka, Yoshihiko,Ikawa, Tsuneo. "COUPLING REACTION BETWEEN METHYLPROPIONATE AND METHANOL TO FORM METHYLMETHACRYLATE OVER METAL ION-CONTAINED MAGNESIUM OXIDE CATALYSTS". . p. 819 - 820. Retrieved 2007/10/02.
• 2、 Roustan, J. L.,Guinot, A.,Cadiot, P.. "INSERTION D'ALLENES. VII. SYNTHESE DE COMPLEXES (η4-HETERODIENE)FER TRICARBONYL A PARTIR D'ALLENES". . p. 357 - 366. Retrieved 2007/10/02.