1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane

Base Information

Chemical Name:1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
CAS No.:108614-26-2
Molecular Formula:C16H18 O3
Molecular Weight:258.31
Hs Code.:2932999099
European Community (EC) Number:866-614-3
UNII:VGI6L0G4CG
DSSTox Substance ID:DTXSID20148635
Nikkaji Number:J481.171B
Wikipedia:EBOB
Wikidata:Q55095833
ChEMBL ID:CHEMBL2288583
Mol file:108614-26-2.mol

Synonyms:(3H)EBOB;1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane;3HaEBOB;4'-ethynyl-4-n-propylbicycloorthobenzoate;4-n-(3H)propyl-4'-ethynylbicycloorthobenzoate;4-propyl-4'-ethynyl-bicycloorthobenzoate;EBOB-3H

Suppliers and Price of 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane

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

American Custom Chemicals Corporation
EBOB 95.00%
5MG
$ 496.96

Total 4 raw suppliers

Chemical Property of 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane

Chemical Property:

Vapor Pressure:0.000187mmHg at 25°C
Boiling Point:338.9°Cat760mmHg
Flash Point:113.9°C
PSA：27.69000
Density:1.17g/cm³
LogP:2.64170
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:258.125594432
Heavy Atom Count:19
Complexity:348

Purity/Quality:

98%min ^*data from raw suppliers

EBOB 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C

Technology Process of 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane

There total 6 articles about 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane 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%

: 108613-97-4
4-n-propyl-1-[4-(2-trimethylsilylethynyl)phenyl]-2,6,7-trioxabicyclo[2.2.2]octane

: 108614-26-2
[3H]-EBOB

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1016/0040-4039(90)80166-J

Reference yield:

: 429-41-4
tetrabutyl ammonium fluoride

: 108613-97-4
4-n-propyl-1-[4-(2-trimethylsilylethynyl)phenyl]-2,6,7-trioxabicyclo[2.2.2]octane

: 108614-26-2
[3H]-EBOB

Guidance literature:: In tetrahydrofuran;

Reference yield:

: 129338-85-8
[4-(4-Allyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-phenylethynyl]-trimethyl-silane

: 108614-26-2
[3H]-EBOB

Guidance literature:: Multi-step reaction with 2 steps

1: H₂, NEt₃ / 5percent Pd-C / ethyl acetate / 4 h / 735.5 Torr

2: 100 percent / Bu₄NF / tetrahydrofuran

With tetrabutyl ammonium fluoride; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate;
DOI:10.1016/0040-4039(90)80166-J