3-Methyl-3-penten-2-one

Base Information

• Chemical Name: 3-Methyl-3-penten-2-one
• CAS No.: 1567-73-3
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• European Community (EC) Number: 209-283-7
• UNII: JBR4O01DB2
• DSSTox Substance ID: DTXSID601045928
• Nikkaji Number: J24.198I,J675.155E
• Wikipedia: 3-Methyl-3-penten-2-one
• Wikidata: Q15720544
• Metabolomics Workbench ID: 130633
• ChEMBL ID: CHEMBL3184903
• Mol file: 1567-73-3.mol

Synonyms:(E)-3-methylpent-3-en-2-one;3-Methyl-3-penten-2-one;(E)-3-methyl-3-penten-2-one;565-62-8;1567-73-3;3-Methyl-pent-3-en-2-one;JBR4O01DB2;3-Methyl-2-penten-4-one;3-Penten-2-one, 3-methyl-;3-Methyl-3-penten-2-one, (3E)-;3-Penten-2-one, 3-methyl-, (E)-;3-Penten-2-one, 3-methyl-, (3E)-;3-Methyl-3-pentene-2-one;2-Acetyl-2-butene;3-Pentene-2-one, 3-methyl-;DTXSID4041490;3 - methylpent - 3 - en - 2 - one;UNII-JBR4O01DB2;3-Methyl-3-penten-2-one #;CHEMBL3184903;DTXCID3032410;AMY4030;CH3CH=C(CH3)C(=O)CH3;DTXSID601045928;(3E)-3-Methyl-3-penten-2-one;(E)-3-methyl-pent-3-en-2-one;Tox21_302357;MFCD00151839;NCGC00255636-01;(3E)-3-METHYLPENT-3-EN-2-ONE;CAS-565-62-8;M1139;EN300-7424978;A831787;3-Methyl-3-penten-2-one, technical, >=90% (GC);Q15720544

Chemical Property of 3-Methyl-3-penten-2-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)C
• Isomeric SMILES: C/C=C(\C)/C(=O)C

Technology Process of 3-Methyl-3-penten-2-one

There total 2 articles about 3-Methyl-3-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: 70.0%

meparfynol (77-75-8) → (Z)-3-methylpent-3-en-1-yne (14272-81-2) + (E)-3-methylpent-3-en-2-one (1567-73-3) + 3-ethyl-3-buten-1-yne (1574-34-1) + (E)-3-Methyl-3-penten-1-yne (14272-80-1)

Guidance literature:

With methanesulfonic acid; silica gel; In dichloromethane; for 1.5h; Product distribution; other reagent, time;

DOI:10.1021/jo00118a035

Reference yield:

meparfynol (77-75-8) → (E)-3-methylpent-3-en-2-one (1567-73-3) + 3-methylpent-2-enal (3592-19-6)

Guidance literature:

With formic acid;

Reference yield: 93.3%

(E)-3-methylpent-3-en-2-one (1567-73-3) + p-methylselenobenzamide (67213-27-8) → 4-Hydroxy-4,5,6-trimethyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazine

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1039/a809131e

upstream raw materials:

meparfynol

Downstream raw materials:

3,4-dimethyl-2-hexanone

3-methyl-pentan-2-one

trans-1-(2,3-dimethyloxiranyl)-ethanone

4-acetyl-2,3,4,5-tetramethyl-cyclohexanone