tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate

Base Information

Chemical Name:tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate
CAS No.:679392-25-7
Molecular Formula:C14H19ClN2O2
Molecular Weight:282.77
Hs Code.:
DSSTox Substance ID:DTXSID80439016
Nikkaji Number:J2.001.981F
Wikidata:Q82254884

Synonyms:679392-25-7;tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate;tert-butyl 2-chloro-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9-carboxylate;SCHEMBL1808364;DTXSID80439016;IRSVDPRIUKSVFH-UHFFFAOYSA-N;AKOS015964025;tert-butyl 2-chloro-5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylate;CS-0136984;tert-Butyl2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate;1,1-dimethylethyl 2-chloro-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9-carboxylate;2-Chloro-9-(tert-butoxycarbonyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

Suppliers and Price of tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-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

Total 7 raw suppliers

Chemical Property of tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:282.1135055
Heavy Atom Count:19
Complexity:330

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCCCC2=C1N=C(C=C2)Cl

Technology Process of tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate

There total 1 articles about tert-Butyl 2-chloro-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-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:

: 45644-21-1
6-chloropyridin-2-amine

: 679392-25-7
tert-butyl 2-chloro-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / hexyllithium; 1,1,1,3,3,3-hexamethyldisilazane / tetrahydrofuran / 0.5 h / 20 °C

2: 78 percent / hexyllithium; N,N,N',N'-tetramethylethylenediamine / hexane; tetrahydrofuran / 9 h / Heating

With N,N,N,N,-tetramethylethylenediamine; n-hexyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; hexane;
DOI:10.1021/jo048082n

Reference yield: 90.0%

: 63503-60-6
3-chlorophenylboronic acid

: 679392-25-7
tert-butyl 2-chloro-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9-carboxylate

: 1303588-43-3
tert-butyl 2-(3-chlorophenyl)-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxylate

Guidance literature:: With caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; at 110 ℃;

Reference yield:

: 679392-25-7
tert-butyl 2-chloro-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9-carboxylate

: 1303585-96-7
2-(3-chlorophenyl)-N-(pyridin-4-yl)-7,8-dihydro-5H-pyrido[2,3-b]azepine-9(6H)-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: caesium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 110 °C

2: hydrogenchloride / methanol / 20 °C

3: triethylamine / tetrahydrofuran / 3.5 h / 50 °C

With hydrogenchloride; caesium carbonate; triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; methanol; water;