N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide

Base Information

Chemical Name:N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide
CAS No.:123837-16-1
Molecular Formula:C₈H₁₅N₃O
Molecular Weight:169.227
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10701132
Mol file:123837-16-1.mol

Synonyms:123837-16-1;N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide;SCHEMBL7268025;1-Azabicyclo[2.2.2]octane-3-carboximidamide, N-hydroxy-;DTXSID10701132;QEFKGCLVACFUSZ-UHFFFAOYSA-N

Suppliers and Price of N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide

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
N-HYDROXY-1-AZABICYCLO[2.2.2]OCTANE-3-CARBOXIMIDAMIDE 95.00%
5MG
$ 500.51

AccelPharmtech
N-hydroxy-1-Azabicyclo[2.2.2]octane-3-carboximidamide 97.00%
25G
$ 5120.00

AccelPharmtech
N-hydroxy-1-Azabicyclo[2.2.2]octane-3-carboximidamide 97.00%
5G
$ 2750.00

AccelPharmtech
N-hydroxy-1-Azabicyclo[2.2.2]octane-3-carboximidamide 97.00%
1G
$ 2370.00

Total 1 raw suppliers

Chemical Property of N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide

Chemical Property:

Boiling Point:282.5±42.0 °C(Predicted)
PKA:14.54±0.20(Predicted)
PSA：59.35000
Density:1.48±0.1 g/cm3(Predicted)
LogP:0.71280
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:169.121512110
Heavy Atom Count:12
Complexity:197

Purity/Quality:: N-HYDROXY-1-AZABICYCLO[2.2.2]OCTANE-3-CARBOXIMIDAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN2CCC1C(C2)C(=NO)N

Technology Process of N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide

There total 2 articles about N'-hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide 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: 46.0%

: 51627-76-0
3-Cyano-1-azabicyclo[2.2.2]octane

: 123837-16-1
1-azabicyclo<2.2.2>octane-3-carboxamide amidoxime

Guidance literature:: With hydroxylamine hydrochloride; sodium methylate; In methanol; for 18h; Heating;
DOI:10.1021/jm00113a009

Reference yield:

: 3731-38-2
3-Quinuclidinone

: 123837-16-1
1-azabicyclo<2.2.2>octane-3-carboxamide amidoxime

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / t-BuOK, EtOH / 1,2-dimethoxy-ethane / 1.) 5-10 deg C, 0.5 h, 2.) 40 deg C, 2.5 h

2: 46 percent / NH₂OH*HCl, MeONa / methanol / 18 h / Heating

With ethanol; hydroxylamine hydrochloride; potassium tert-butylate; sodium methylate; In methanol; 1,2-dimethoxyethane;
DOI:10.1021/jm00113a009