Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester

Base Information

Chemical Name:Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester
CAS No.:146450-45-5
Molecular Formula:C16H22O4
Molecular Weight:278.348
Hs Code.:
DSSTox Substance ID:DTXSID90448952
Wikidata:Q82268184

Synonyms:Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester;146450-45-5;DTXSID90448952

Suppliers and Price of Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester

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
Packaging
price

Total 5 raw suppliers

Chemical Property of Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:278.15180918
Heavy Atom Count:20
Complexity:282

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(=O)CCCCOCC1=CC=CC=C1

Technology Process of Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester

There total 8 articles about Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester 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: 87.0%

: 1190898-57-7
7-benzyloxy-3-hydroxy-heptanoic acid ethyl ester

: 146450-45-5
ethyl 7-(benzyloxy)-3-oxoheptanoate

Guidance literature:: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; at 20 ℃; for 1h;
DOI:10.1016/j.tetlet.2015.11.047

Reference yield: 65.0%

: 5375-00-8
3-benzyloxypropyl iodide

: 141-97-9
ethyl acetoacetate

: 146450-45-5
ethyl 7-(benzyloxy)-3-oxoheptanoate

Guidance literature:: ethyl acetoacetate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

3-benzyloxypropyl iodide; With n-butyllithium; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1002/chem.201502132

Reference yield:

: 100-52-7
benzaldehyde

: 146450-45-5
ethyl 7-(benzyloxy)-3-oxoheptanoate

Guidance literature:: Multi-step reaction with 5 steps

1: 96 percent / TsOH*H₂O / benzene / Heating

2: 71 percent / LiAlH₄, AlCl₃ / diethyl ether / 4 h / Heating

3: triethylamine / 0.25 h / 0 °C

4: LiBr / acetone / Heating

5: 71 percent / NaH, n-butyllithium / tetrahydrofuran; hexane / 3 h / Ambient temperature

With lithium aluminium tetrahydride; n-butyllithium; aluminium trichloride; sodium hydride; toluene-4-sulfonic acid; lithium bromide; In tetrahydrofuran; diethyl ether; hexane; triethylamine; acetone; benzene;
DOI:10.1139/v96-279