2-Bromo-1-cyclobutylethanone

Base Information

• Chemical Name: 2-Bromo-1-cyclobutylethanone
• CAS No.: 128312-69-6
• Molecular Formula: C6H9 Br O
• Molecular Weight: 177.041
• Hs Code.: 2914290090
• European Community (EC) Number: 831-010-0
• Mol file: 128312-69-6.mol

Synonyms:2-BROMO-1-CYCLOBUTYLETHANONE;128312-69-6;2-bromo-1-cyclobutylethan-1-one;Ethanone, 2-bromo-1-cyclobutyl- (9CI);Ethanone, 2-bromo-1-cyclobutyl-;bromomethyl cyclobutyl ketone;SCHEMBL477153;2-bromo-1-cyclobutyl-1-ethanone;ODPHLRQTQFMNJQ-UHFFFAOYSA-N;MFCD11847541;AKOS017349822;Ethanone,2-bromo-1-cyclobutyl-(9ci);PB40207;BS-12978;CS-0210596;EN300-103803;P18349

Chemical Property of 2-Bromo-1-cyclobutylethanone

Chemical Property:

• Boiling Point: 83-87 °C(Press: 10 Torr)
• PSA: 17.07000
• Density: 1.534±0.06 g/cm3(Predicted)
• LogP: 1.75050
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.98368
• Heavy Atom Count: 8
• Complexity: 96.7

Purity/Quality:

97% ^*data from raw suppliers

2-bromo-1-cyclobutylethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C(=O)CBr

Technology Process of 2-Bromo-1-cyclobutylethanone

There total 4 articles about 2-Bromo-1-cyclobutylethanone 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: 100.0%

1-cyclobutylethanone (3019-25-8) → 2-bromo-1-cyclobutyl-1-ethanone (128312-69-6)

Guidance literature:

With bromine; In methanol; at 0 - 15 ℃;

DOI:10.1039/c9md00365g

Reference yield: 60.0%

→ 2-bromo-1-cyclobutyl-1-ethanone (128312-69-6)

Guidance literature:

Reference yield:

Cyclobutanecarboxylic acid (3721-95-7) → 2-bromo-1-cyclobutyl-1-ethanone (128312-69-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 3 h / 0 - 20 °C

2: bromine / methanol / 1.5 h / 0 - 15 °C

With bromine; In methanol; diethyl ether;

DOI:10.1055/s-0035-1560753

upstream raw materials:

diazomethane

Cyclobutanecarbonyl chloride

1-cyclobutylethanone

Cyclobutanecarboxylic acid

Downstream raw materials:

N-[3-(4-cyclobutylthiazol-2-yl)isoquinolin-6-yl]-2-cyclohexylsuccinamic acid