2-Bromocyclobutanone

Base Information

• Chemical Name: 2-Bromocyclobutanone
• CAS No.: 1192-01-4
• Molecular Formula: C4H5BrO
• Molecular Weight: 148.987
• Hs Code.: 2914700090
• European Community (EC) Number: 868-140-2
• DSSTox Substance ID: DTXSID20503225
• Mol file: 1192-01-4.mol

Synonyms:2-Bromocyclobutanone;1192-01-4;2-Bromocyclobutan-1-one;Cyclobutanone, 2-bromo-;2 - broMocyclobutanone;MFCD20621203;bromocyclobutanone;SCHEMBL1551749;DTXSID20503225;XQZZIZVMMMRELO-UHFFFAOYSA-N;AKOS016006469;PS-17115;SY234041;CS-0147268;EN300-109089;P18435;A900970

Chemical Property of 2-Bromocyclobutanone

Chemical Property:

• Vapor Pressure: 1.63mmHg at 25°C
• Boiling Point: 168.3oC at 760 mmHg
• Flash Point: 98.8oC
• PSA: 17.07000
• Density: 1.82g/cm3
• LogP: 1.11280
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.95238
• Heavy Atom Count: 6
• Complexity: 79.6

Purity/Quality:

97% ^*data from raw suppliers

2-Bromocyclobutanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C1Br

Technology Process of 2-Bromocyclobutanone

There total 2 articles about 2-Bromocyclobutanone 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: 95.0%

cyclobutanone (1191-95-3) → 2-bromocyclobutanone (1192-01-4)

Guidance literature:

With bromine; In chloroform; at 0 - 20 ℃;

Reference yield:

→ 2-bromocyclobutanone (1192-01-4)

Guidance literature:

Cyclobutan-1-on, Brom;

DOI:10.1063/1.1701653

Reference yield: 95.0%

2-bromocyclobutanone (1192-01-4) + thiophenol (108-98-5) → (±)-2-(phenylthio)cyclobutanone (60603-14-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1021/ja00530a040

upstream raw materials:

cyclobutanone

Downstream raw materials:

ethene

1,2-propanediene

bromoketene

(±)-2-(phenylthio)cyclobutanone