3-(3-Bromophenyl)cyclobutanone

Base Information

• Chemical Name: 3-(3-Bromophenyl)cyclobutanone
• CAS No.: 885267-15-2
• Molecular Formula: C10H9BrO
• Molecular Weight: 225.085
• Hs Code.: 2914700090
• European Community (EC) Number: 828-712-4
• DSSTox Substance ID: DTXSID80590252
• Wikidata: Q72449316
• Mol file: 885267-15-2.mol

Synonyms:3-(3-bromophenyl)cyclobutan-1-one;3-(3-Bromophenyl)cyclobutanone;

Chemical Property of 3-(3-Bromophenyl)cyclobutanone

Chemical Property:

• Vapor Pressure: 0.000728mmHg at 25°C
• Refractive Index: 1.601
• Boiling Point: 307.4 °C at 760 mmHg
• Flash Point: 100.3 °C
• PSA: 17.07000
• Density: 1.522g/cm³
• LogP: 2.89560
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 223.98368
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

3-(3-bromophenyl)cyclobutan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1=O)C2=CC(=CC=C2)Br

Technology Process of 3-(3-Bromophenyl)cyclobutanone

There total 6 articles about 3-(3-Bromophenyl)cyclobutanone 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: 27.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 3-bromostyrene (2039-86-3,25584-47-8) → 3-(3-bromo-phenyl)-cyclobutanone (885267-15-2)

Guidance literature:

N,N-dimethyl acetamide; With trifluoromethylsulfonic anhydride; In 1,2-dichloro-ethane; at 0 ℃; for 1h;

3-bromostyrene; With 2,4,6-trimethyl-pyridine; In 1,2-dichloro-ethane; Reflux;

Reference yield: 27.0%

2,4,6-trimethyl-pyridine (108-75-8) + N,N-dimethyl acetamide (127-19-5,116057-81-9) + 3-bromostyrene (2039-86-3,25584-47-8) → 3-(3-bromo-phenyl)-cyclobutanone (885267-15-2)

Guidance literature:

With trifluoromethanesulfonic acid anhydride; In water; 1,2-dichloro-ethane;

Reference yield:

C10H7BrCl2O → 3-(3-bromo-phenyl)-cyclobutanone (885267-15-2)

Guidance literature:

With acetic acid; zinc; at 20 - 80 ℃; for 7h;

DOI:10.1016/j.tet.2012.03.108

upstream raw materials:

3-bromostyrene

potassium ethyl xanthogenate

trifluoroacetyl chloride

2,4,6-trimethyl-pyridine

Downstream raw materials:

[3-(3-Bromo-phenyl)-cyclobutylidene]-acetic acid methyl ester

4-(3-bromophenyl)dihydrofuran-2(3H)-one

3-(3-Bromophenyl)-1-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)phenyl)cyclobutanol

C₃₀H₂₄Cl₃NO₅

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