2-Methylcyclobutanone

Base Information

• Chemical Name: 2-Methylcyclobutanone
• CAS No.: 1517-15-3
• Molecular Formula: C5H8 O
• Molecular Weight: 84.1179
• Hs Code.: 2914299000
• European Community (EC) Number: 867-106-4
• DSSTox Substance ID: DTXSID40934330
• Nikkaji Number: J102.092G
• Mol file: 1517-15-3.mol

Synonyms:2-methylcyclobutan-1-one;1517-15-3;2-METHYLCYCLOBUTANONE;2alpha-Methylcyclobutanone;Cyclobutanone, 2-methyl-;Methylcyclobutanone;DTXSID40934330;MFCD00061040;AKOS016356722;EN300-157903;W18267

Chemical Property of 2-Methylcyclobutanone

Chemical Property:

• Vapor Pressure: 16.3mmHg at 25°C
• Boiling Point: 118.9°C at 760 mmHg
• Flash Point: 19.1°C
• PSA: 17.07000
• Density: 0.961g/cm³
• LogP: 0.98540
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 76

Purity/Quality:

99% ^*data from raw suppliers

2-Methylcyclobutanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC1=O

Technology Process of 2-Methylcyclobutanone

There total 35 articles about 2-Methylcyclobutanone 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%

1-Isocyanato-t-2-methyl-r-1-tosylcyclobutane → 2-methylcyclobutanone (1517-15-3)

Guidance literature:

With sulfuric acid; In sulfolane;

Reference yield: 83.0%

1-Ethenylcyclopropan-1-ol (22935-31-5) → 2-methylcyclobutanone (1517-15-3)

Guidance literature:

With hydrogen bromide; In dichloromethane; at 0 ℃; for 0.0833333h;

DOI:10.1021/jo01302a023

Reference yield: 50.0%

pent-3-yn-1-yl 3-nitrobenzenesulfonate (17714-50-0) → 2-methylcyclobutanone (1517-15-3)

Guidance literature:

With sodium 2,2,2-trifluoroacetate; trifluoroacetic acid; at 55 ℃; for 120h;

DOI:10.1002/anie.201208197

upstream raw materials:

2-methylcyclobutan-1-ol

1-Ethenylcyclopropan-1-ol

1-trimethylsiloxy-1-vinylcyclopropane

1-methylsulfinyl-1-methylthio-2-methylcyclobutane

Downstream raw materials:

C₁₇H₂₈O₂Si

(αR,1R,2S)-2-methyl-1-(1-phenylethylamino)cyclobutanecarboxamide

(αR,1R,2R)-2-methyl-1-(1-phenylethylamino)cyclobutanecarboxamide

(αR,1S,2S)-2-methyl-1-(1-phenylethylamino)cyclobutanecarboxamide

Refernces

• 1、 Amice,Conia. "". . p. 479,480. Retrieved 1974.
• 2、 Hanack et al.. "". . p. 875. Retrieved 1965.
• 3、 -. "COMPOUNDS FOR THE TREATMENT OF PAIN". Paragraph 2408; 2703-2704. . Retrieved 2019/08/20.