1-(2-Methyl-1-cyclobuten-1-yl)ethanone

Base Information

• Chemical Name: 1-(2-Methyl-1-cyclobuten-1-yl)ethanone
• CAS No.: 67223-99-8
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• DSSTox Substance ID: DTXSID201282336
• Mol file: 67223-99-8.mol

Synonyms:1-(2-methyl-1-cyclobuten-1-yl)ethanone;1-acetyl-2-methylcyclobutene;67223-99-8;DTXSID201282336;1-(2-methyl-1-cyclobutenyl)-ethanone

Chemical Property of 1-(2-Methyl-1-cyclobuten-1-yl)ethanone

Chemical Property:

• PSA: 17.07000
• LogP: 1.68570
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CC1)C(=O)C

Technology Process of 1-(2-Methyl-1-cyclobuten-1-yl)ethanone

There total 3 articles about 1-(2-Methyl-1-cyclobuten-1-yl)ethanone 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: 88.0%

2-methyl-1-(trimethylsilyl)cyclobutene (86994-12-9) + acetyl chloride (75-36-5) → 1-acetyl-2-methylcyclobutene (67223-99-8)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/ja00224a025

Reference yield:

C14H18N2O3S (83467-42-9) → pent-3-yn-2-one (7299-55-0) + 1-acetyl-2-methylcyclobutene (67223-99-8) + 1-acetyl-1-vinylcyclopropane (146857-45-6)

Guidance literature:

With sodium methylate; Yield given. Multistep reaction. Yields of byproduct given; 2.) neat (no solvent), 160 deg C - 180 deg C, 1 Torr;

Reference yield:

→ 1-acetyl-2-methylcyclobutene (67223-99-8)

Guidance literature:

Fluorgemisch IVa,IVb, Erhitzen in Chinolin;

upstream raw materials:

C₁₄H₁₈N₂O₃S

2-methyl-1-(trimethylsilyl)cyclobutene

acetyl chloride

Downstream raw materials:

1-acetyl-2-methyl-2-vinylcyclobutane

1-acetyl-2-methyl-2-vinylcyclobutane

1-acetyl-2-methyl-2-vinylcyclobutane

1-Acetyl-2-isopropenyl-2-methylcyclobutane