Cyclobutyl phenyl ketone

Base Information

• Chemical Name: Cyclobutyl phenyl ketone
• CAS No.: 5407-98-7
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• European Community (EC) Number: 226-473-5
• NSC Number: 10744
• DSSTox Substance ID: DTXSID1048201
• Nikkaji Number: J81.023A
• Wikidata: Q81984487
• ChEMBL ID: CHEMBL3187192
• Mol file: 5407-98-7.mol

Synonyms:Cyclobutyl phenyl ketone;5407-98-7;Cyclobutyl(phenyl)methanone;Methanone, cyclobutylphenyl-;Benzoylcyclobutane;DTXSID1048201;EINECS 226-473-5;MFCD00001326;CYCLOBUTYLPHENYLKETONE;cyclobutyl-phenyl-methanone;NSC10744;Cyclobutylphenylketon;cyclobutylphenyl ketone;phenyl cyclobutyl ketone;Cyclobutyl(phenyl)methanone #;Cyclobutyl phenyl ketone, 98%;SCHEMBL3113279;CHEMBL3187192;DTXCID9028176;Methanone, (cyclobutyl)(phenyl)-;Tox21_303524;NSC 10744;NSC-10744;AKOS009156391;AT10641;FS-1052;NCGC00257510-01;CAS-5407-98-7;CS-0063896;FT-0624157;EN300-82990;A829950

Chemical Property of Cyclobutyl phenyl ketone

Chemical Property:

• Vapor Pressure: 0.0125mmHg at 25°C
• Refractive Index: n20/D 1.547(lit.)
• Boiling Point: 260 °C at 760 mmHg
• Flash Point: 102.5 °C
• PSA: 17.07000
• Density: 1.082 g/cm³
• LogP: 2.66940
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclobutyl Phenyl Ketone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(C1)C(=O)C2=CC=CC=C2
• Uses: Cyclobutyl phenyl ketone was used to study thermal reactions of parent and phenyl substituted N-acyl cyclobutylimines.

Technology Process of Cyclobutyl phenyl ketone

There total 17 articles about Cyclobutyl phenyl ketone 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: 84.0%

cyclobutanemethanol (4415-82-1) + Phenyl triflate (17763-67-6) → 1-cyclobutyl-1-phenyl-methanone (5407-98-7)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; acetone; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In toluene; at 130 ℃; for 20h; Inert atmosphere;

DOI:10.1021/jacs.9b03280 DOI:10.1021/jacs.9b03280

Reference yield: 54.0%

(1‐cyclobutylvinyl)benzene (4747-36-8) → 1-cyclobutyl-1-phenyl-methanone (5407-98-7)

Guidance literature:

With iron(III) trifluoromethanesulfonate; C₆₅H₇₇N₅O₄S₂; oxygen; In 1,2-dichloro-ethane; at 75 ℃; for 8h; under 760.051 Torr; chemoselective reaction; Green chemistry;

DOI:10.1021/jacs.5b03956

Reference yield: 40.0%

α,α-dicyclobutylphenylmethanol (860454-56-4) → 1-cyclobutyl-1-phenyl-methanone (5407-98-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; In dichloromethane; at 20 ℃; for 0.0166667h; Irradiation;

DOI:10.1021/jo050883i

upstream raw materials:

Cyclobutanecarbonyl chloride

benzene

(+/-)-cyclobutyl(phenyl)methanamine

N-Cyclobutyl-N-nitroso-harnstoff

Downstream raw materials:

1-cyclobutyl-1-phenylethanol

rac-(cyclobutyl)(phenyl)methanol

1,2-dicyclobutyl-1,2-diphenyl-ethane-1,2-diol

(1-ethyl-cyclobutyl)-phenyl ketone