5-tert-Butyl-2-oxepanone

Base Information

Chemical Name:5-tert-Butyl-2-oxepanone
CAS No.:34680-83-6
Molecular Formula:C10H18O2
Molecular Weight:170.252
Hs Code.:
DSSTox Substance ID:DTXSID501313128
Nikkaji Number:J595.492D
Mol file:34680-83-6.mol

Synonyms:5-tert-butyloxepan-2-one;5-tert-Butyl-2-oxepanone;34680-83-6;4-tert-butylcaprolactone;5-tert-butyl-oxepan-2-one;SCHEMBL42962;5-tert-Butyl-2-oxepanone #;DTXSID501313128;2-Oxepanone, 5-(1,1-dimethylethyl)-;EN300-33047902;Z5211313470

Suppliers and Price of 5-tert-Butyl-2-oxepanone

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 5-tert-Butyl-2-oxepanone

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.130679813
Heavy Atom Count:12
Complexity:167

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1CCC(=O)OCC1

Technology Process of 5-tert-Butyl-2-oxepanone

There total 2 articles about 5-tert-Butyl-2-oxepanone 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:

: 91-01-0
1,1-Diphenylmethanol

: 98-53-3
4-tercbutyl-cyclohexanone

: 34680-83-6
5-(tert-butyl)oxepan-2-one

: 119-61-9
benzophenone

Guidance literature:: 1,1-Diphenylmethanol; 4-tercbutyl-cyclohexanone; With N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile); oxygen; In ethyl acetate; at 75 ℃; for 22h;

With ammonium cerium (IV) nitrate; 1,1,1,3',3',3'-hexafluoro-propanol; In ethyl acetate; at 45 ℃; for 10h;
DOI:10.1016/j.mcat.2020.110947

Reference yield:

: 98-53-3
4-tercbutyl-cyclohexanone

: 34680-83-6
5-(tert-butyl)oxepan-2-one

: 937-07-5
4-tert-butylcyclohex-2-enone

Guidance literature:: With Oxone; 2-Iodobenzoic acid; In nitromethane; at 70 ℃; for 2h;

Reference yield:

: 34680-83-6
5-(tert-butyl)oxepan-2-one

: 28125-18-0
trans-4-tert-butylcyclohexylacetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) DIBAL, 2.) benzoic acid / 1.) toluene, -78 deg C, 2.) methanol, reflux

2: 76 percent / CBr₄, triphenylphosphine / CH₂Cl₂ / 0.25 h

3: 75 percent / n-Bu₃SnH, AIBN / benzene / 10 h / Heating

4: CF₃CO₂H / CH₂Cl₂

With 2,2'-azobis(isobutyronitrile); carbon tetrabromide; tri-n-butyl-tin hydride; diisobutylaluminium hydride; triphenylphosphine; benzoic acid; trifluoroacetic acid; In dichloromethane; benzene;