1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester

Base Information

Chemical Name:1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester
CAS No.:31539-88-5
Molecular Formula:C₉H₁₃NO₂
Molecular Weight:167.208
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90185436
Nikkaji Number:J54.652F
Wikidata:Q83056461
Mol file:31539-88-5.mol

Synonyms:31539-88-5;Dehydroquinuclidine-3-carboxylic acid;Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate;1-AZABICYCLO(2.2.2)OCT-2-ENE-3-CARBOXYLIC ACID, METHYL ESTER;BRN 0132895;5-22-01-00447 (Beilstein Handbook Reference);1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid, methyl ester;Methyl dehydroquinuclidine-3-carboxylate;SCHEMBL7276868;DTXSID90185436;SDEKJEJGZPSNFT-UHFFFAOYSA-N;STL552720;AKOS037502905;LS-22640;1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester

Suppliers and Price of 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl 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

American Custom Chemicals Corporation
1-AZABICYCLO[2.2.2]OCT-2-ENE-3-CARBOXYLIC ACID METHYL ESTER 95.00%
5MG
$ 497.65

Total 3 raw suppliers

Chemical Property of 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester

Chemical Property:

Vapor Pressure:0.0216mmHg at 25°C
Boiling Point:250.5°Cat760mmHg
Flash Point:103.4°C
PSA：29.54000
Density:1.16g/cm³
LogP:0.70680
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.094628657
Heavy Atom Count:12
Complexity:227

Purity/Quality:

99% ^*data from raw suppliers

1-AZABICYCLO[2.2.2]OCT-2-ENE-3-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CN2CCC1CC2

Technology Process of 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester

There total 2 articles about 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl 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:

: 106037-35-8
1-Aza-3-cyan-bicyclo<2.2.2>octen-(2)

: 31539-88-5
methyl 1-azabicyclo(2,2,2)oct-2-ene-3-carboxylate

Guidance literature:: With hydrogenchloride; Erwaermen des Reaktionsprodukts mit methanol. HCl;
DOI:10.1002/hlca.19570400717

Reference yield:

: 57598-88-6
3-hydroxy-3-methoxycarbonyl-1-azabicyclo[2.2.2]octane

: 31539-88-5
methyl 1-azabicyclo(2,2,2)oct-2-ene-3-carboxylate

Guidance literature:: With thionyl chloride;
DOI:10.1002/hlca.19540370610

Reference yield:

: 31539-88-5
methyl 1-azabicyclo(2,2,2)oct-2-ene-3-carboxylate

: 106037-35-8
1-Aza-3-cyan-bicyclo<2.2.2>octen-(2)

Guidance literature:: Multi-step reaction with 2 steps

1: concentrated aqueous NH₃

2: P₂O₅; seasand; triethylamine / Reagens 4: CHCl₃

With ammonium hydroxide; seasand; phosphorus pentoxide; triethylamine;
DOI:10.1002/hlca.19570400717