Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate

Base Information

Chemical Name:Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate
CAS No.:118537-39-6
Molecular Formula:C16H20O3
Molecular Weight:260.333
Hs Code.:
DSSTox Substance ID:DTXSID00560376
Wikidata:Q82443497
Mol file:118537-39-6.mol

Synonyms:Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate;118537-39-6;SCHEMBL8703548;DTXSID00560376

Suppliers and Price of Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:260.14124450
Heavy Atom Count:19
Complexity:306

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)CCC2CCC(=O)CC2

Technology Process of Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate

There total 7 articles about Methyl 4-[2-(4-oxocyclohexyl)ethyl]benzoate 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: 100.0%

: 188820-79-3
4-[(E)-2-(4-Oxo-cyclohexyl)-vinyl]-benzoic acid methyl ester

: 118537-39-6
Methyl 4-<2-(4-Oxocyclohexyl)ethyl>benzoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; for 6h;
DOI:10.1016/S0960-894X(97)00041-3

Reference yield: 84.0%

: 118537-38-5
Methyl 4-<2-(1,4-Dioxaspiro<4.5>dec-8-yl)ethyl>benzoate

: 118537-39-6
Methyl 4-<2-(4-Oxocyclohexyl)ethyl>benzoate

Guidance literature:: With trifluoroacetic acid; In tetrahydrofuran; water; at 60 - 65 ℃; for 2h;
DOI:10.1021/jm00123a037

Reference yield:

: 51656-90-7
8-methylene-1,4-dioxaspiro[4.5]decane

: 118537-39-6
Methyl 4-<2-(4-Oxocyclohexyl)ethyl>benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 1) BH₃, 2) pyridinium chlorochromate / 1) THF, 0 deg C, 30 min, 2) CH₂Cl₂, reflux, 2 h

2: 1) NaOMe / 1) DMSO, r.t., 15 min, 2) r.t., 1 day

3: 68 percent / H₂ / 5percent Pd-C / methanol / 2280 Torr

4: 84 percent / CF₃COOH / tetrahydrofuran; H₂O / 2 h / 60 - 65 °C

With borane; hydrogen; sodium methylate; pyridinium chlorochromate; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; water;
DOI:10.1021/jm00123a037