Bicyclo[1.1.1]pentan-2-ylphenyl ketone

Base Information

Chemical Name:Bicyclo[1.1.1]pentan-2-ylphenyl ketone
CAS No.:148749-94-4
Molecular Formula:C₁₂H₁₂O
Molecular Weight:172.227
Hs Code.:
DSSTox Substance ID:DTXSID001284700
Nikkaji Number:J531.418F

Synonyms:DTXSID001284700;Bicyclo[1.1.1]pent-2-ylphenylmethanone;Bicyclo[1.1.1]pentan-2-ylphenyl ketone;148749-94-4

Suppliers and Price of Bicyclo[1.1.1]pentan-2-ylphenyl ketone

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Bicyclo[1.1.1]pentan-2-ylphenyl ketone

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:172.088815002
Heavy Atom Count:13
Complexity:209

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C2CC1C2C(=O)C3=CC=CC=C3

Technology Process of Bicyclo[1.1.1]pentan-2-ylphenyl ketone

There total 4 articles about Bicyclo[1.1.1]pentan-2-ylphenyl 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: 63.0%

: 22287-40-7
bicyclo<1.1.1>pentane-2-carboxylic acid

: 591-51-5
phenyllithium

: 148749-94-4
2-Benzoylbicyclo<1.1.1>pentane

Guidance literature:: In diethyl ether; for 0.5h; Heating;
DOI:10.1021/jo00058a015

Reference yield:

: 17684-73-0
2-phenylbicyclo<1.1.1>pentan-2-ol

: 148749-94-4
2-Benzoylbicyclo<1.1.1>pentane

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / pyridine / 1.) 0 deg C, 30 min, 2.) r.t., 1 h

2: 80 percent / Na, NH₃ (liquid) / diethyl ether / -78 °C

3: 56 percent / RuO₂, NaIO₄, H₂O / CCl₄; acetonitrile / 48 h

4: 63 percent / diethyl ether / 0.5 h / Heating

With pyridine; ruthenium(IV) oxide; sodium periodate; ammonia; water; sodium; In tetrachloromethane; diethyl ether; acetonitrile;
DOI:10.1021/jo00058a015

Reference yield:

: 148749-91-1
2-Phenylbicyclo<1.1.1>pentane

: 148749-94-4
2-Benzoylbicyclo<1.1.1>pentane

Guidance literature:: Multi-step reaction with 2 steps

1: 56 percent / RuO₂, NaIO₄, H₂O / CCl₄; acetonitrile / 48 h

2: 63 percent / diethyl ether / 0.5 h / Heating

With ruthenium(IV) oxide; sodium periodate; water; In tetrachloromethane; diethyl ether; acetonitrile;
DOI:10.1021/jo00058a015