(2-{7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-carbamic acid tert-butyl ester

Base Information

Chemical Name:(2-{7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-carbamic acid tert-butyl ester
CAS No.:872045-91-5
Molecular Formula:C₂₂H₃₁FN₄O₄
Molecular Weight:434.511
Hs Code.:
European Community (EC) Number:642-445-9
ChEMBL ID:CHEMBL3545169
DSSTox Substance ID:DTXSID701030144
Metabolomics Workbench ID:152868
Wikidata:Q4655233
Wikipedia:AZD1305

Synonyms:AZD 1305;AZD-1305;AZD1305;tert-butyl (2-(7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non3-yl)ethyl)carbamate

Suppliers and Price of (2-{7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-carbamic acid tert-butyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of (2-{7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-carbamic acid tert-butyl ester

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:434.23293364
Heavy Atom Count:31
Complexity:635

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NCCN1CC2CN(CC(C1)O2)CCOC3=C(C=C(C=C3)C#N)F
Recent ClinicalTrials:Intravenous Cardioversion of Atrial Fibrillation (AF) With AZD1305
Recent EU Clinical Trials:A Randomised, Placebo-controlled, Double-blind, Parallel-group, Multicentre, Phase IIa Study to Explore the Relationship between QTcF Interval at First Dose (Loading Dose) and at Steady State after Treatment with AZD1305 Extended-release Tablets or Placebo when given to Patients with Documented AF

Technology Process of (2-{7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-carbamic acid tert-butyl ester

There total 4 articles about (2-{7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-carbamic acid tert-butyl 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: 84.0%

: 872045-91-5
AZD₁₃₀₅

Guidance literature:: In di-isopropyl ether; isopropyl alcohol; at 5 - 65 ℃; for 20.15h; Purification / work up;

Reference yield: 74.0%

: [2-(7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)-ethyl]-carbamic acid tert-butyl ester 2,4,6-trimethylbenzenesulfonic acid salt

: 917226-73-4
2-(4-cyano-2-fluorophenoxy)ethyl toluene-4-sulfonate

: 872045-91-5
AZD₁₃₀₅

Guidance literature:: [2-(7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)-ethyl]-carbamic acid tert-butyl ester 2,4,6-trimethylbenzenesulfonic acid salt; With hydrogen; 5% palladium over charcoal; In water; isopropyl alcohol; at 65 ℃; for 0.333333h; under 1875.19 Torr;

2-(4-cyano-2-fluorophenoxy)ethyl toluene-4-sulfonate; With sodium carbonate; In water; isopropyl alcohol; at 20 - 75 ℃; for 12h;