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

Base Information

Chemical Name:Methyl 4-[2-(4-oxocyclohexyl)ethenyl]benzoate
CAS No.:188820-79-3
Molecular Formula:C16H18O3
Molecular Weight:258.317
Hs Code.:
DSSTox Substance ID:DTXSID00707249

Synonyms:Methyl 4-[2-(4-oxocyclohexyl)ethenyl]benzoate;188820-79-3;DTXSID00707249

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

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:258.125594432
Heavy Atom Count:19
Complexity:341

Purity/Quality:: 99% ^*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)C=CC2CCC(=O)CC2

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

There total 1 articles about Methyl 4-[2-(4-oxocyclohexyl)ethenyl]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: 75.0%

: 1253-46-9
4-methoxycarbonylbenzyltriphenylphosphonium bromide

: 94458-92-1
1-<(trimethylsilyl)oxy>cyclohexene-4-carboxaldehyde

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

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; for 8h;
DOI:10.1016/S0960-894X(97)00041-3

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:

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

: 188820-83-9
5-[2-(4-methoxycarbonyl-phenyl)-ethyl]-2-oxo-azepane-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / H₂ / Pd/C / ethyl acetate / 6 h

2: 71 percent / hydroxylamine O-sulfonic acid; formic acid / 8 h / 100 °C

3: 100 percent / triethylamine; DMAP / CH₂Cl₂ / 24 h

4: 65 percent / LHMDS / tetrahydrofuran / 8 h / -78 °C

5: 95 percent / TFA / CH₂Cl₂ / 1 h

With dmap; formic acid; hydrogen; triethylamine; trifluoroacetic acid; lithium hexamethyldisilazane; hydroxylamine-O-sulfonic acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate; 1: Catalytic hydrogenation / 2: Beckmann rearrangement / 3: protection / 4: methoxycarbonylation / 5: deprotection;
DOI:10.1016/S0960-894X(97)00041-3