Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Base Information

Chemical Name:Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
CAS No.:110590-29-9
Molecular Formula:C11H17NO3
Molecular Weight:211.25800
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00572232
Nikkaji Number:J1.599.855E
Mol file:110590-29-9.mol

Synonyms:110590-29-9;TERT-BUTYL 2-OXA-3-AZABICYCLO[2.2.2]OCT-5-ENE-3-CARBOXYLATE;2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 1,1-diMethylethyl ester;MFCD24038975;3-Boc-2-oxa-3-azabicyclo[2.2.2]oct-5-ene;t-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate;tert-Butyl2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate;KWICUYZLFNKYIA-UHFFFAOYSA-N;SCHEMBL4278389;DTXSID00572232;tert-butyl 3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate;AKOS016012542;AS-73469;SY220410;CS-0047210;EN300-332969;A802222;tert-Butyl 2-Aza-3-oxabicyclo[2.2.2]oct-5-ene-2-carboxylate;3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid tert-butyl ester

Suppliers and Price of Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

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

Crysdot
tert-Butyl2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate 95+%
1g
$ 947.00

Chemenu
tert-butyl2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate 95%
1g
$ 893.00

American Custom Chemicals Corporation
TERT-BUTYL-2-OXA-3-AZABICYCLO[2.2.2]OCT-5-ENE-3-CARBOXYLATE 95.00%
5MG
$ 500.68

Alichem
tert-Butyl2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
1g
$ 814.08

Total 6 raw suppliers

Chemical Property of Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Chemical Property:

Boiling Point:280.1±20.0 °C(Predicted)
PKA:-2.39±0.20(Predicted)
PSA：38.77000
Density:1.138±0.06 g/cm3(Predicted)
LogP:2.19380
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:211.12084340
Heavy Atom Count:15
Complexity:293

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C2CCC(O1)C=C2

Technology Process of Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

There total 5 articles about Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate 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%

: 36016-38-3
tert-Butyl N-hydroxycarbamate

: 1165952-91-9
cyclohexa-1,3-diene

: 110590-29-9
tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Guidance literature:: With dihydrogen peroxide; copper(l) chloride; In 1,2-dichloro-ethane; acetonitrile; at 20 ℃;
DOI:10.1016/j.tetlet.2005.01.024

Reference yield: 10.0%

: 36016-38-3
tert-Butyl N-hydroxycarbamate

: 2446-51-7
N-methoxybenzamide

: 1165952-91-9
cyclohexa-1,3-diene

: 1593944-08-1
tert-butyl 3-oxobenzo[c]isoxazole-1(3H)-carboxylate

: 110590-29-9
tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Guidance literature:: With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; copper(l) chloride; Trimethylacetic acid; In ethanol; acetone; at 20 ℃; for 48h;
DOI:10.1039/c3cc49496a

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 110590-29-9
tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / hydroxylamine hydrochloride; NaHCO₃ / CH₂Cl₂; H₂O / 0 - 5 °C

2: 100 percent / aq. H₂O₂ / CuCl / 1,2-dichloro-ethane; acetonitrile / 20 °C

With hydroxylamine hydrochloride; dihydrogen peroxide; sodium hydrogencarbonate; copper(l) chloride; In dichloromethane; water; 1,2-dichloro-ethane; acetonitrile; 2: Diels-Alder reaction;
DOI:10.1016/j.tetlet.2005.01.024