Tert-butyl 4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate

Base Information

Chemical Name:Tert-butyl 4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate
CAS No.:693789-34-3
Molecular Formula:C₁₈H₂₆N₂O₃
Molecular Weight:318.416
Hs Code.:
DSSTox Substance ID:DTXSID00475552
Nikkaji Number:J1.997.218F
Mol file:693789-34-3.mol

Synonyms:693789-34-3;TERT-BUTYL 4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4'-PIPERIDINE]-1'-CARBOXYLATE;tert-butyl spiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]-1'-carboxylate;TERT-BUTYL 4,5-DIHYDRO-3H-SPIRO[1,5-BENZOXAZEPINE-2,4'-PIPERIDINE]-1'-CARBOXYLATE;AGN-PC-00JJYO;SCHEMBL12006523;DTXSID00475552;AKOS027254854;KS-10099;CS-0112800;TERT-BUTYL4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4'-PIPERIDINE]-1'-CARBOXYLATE

Suppliers and Price of Tert-butyl 4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]-1'-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-Butyl4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate 95+%
1g
$ 918.00

Chemenu
tert-Butyl4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4''-piperidine]-1''-carboxylate 95%
1g
$ 866.00

Alichem
Tert-butyl4,5-dihydro-3h-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate
1g
$ 975.00

Total 3 raw suppliers

Chemical Property of Tert-butyl 4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:318.19434270
Heavy Atom Count:23
Complexity:425

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2(CCNC3=CC=CC=C3O2)CC1

Technology Process of Tert-butyl 4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate

There total 3 articles about Tert-butyl 4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]-1'-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: 91.0%

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

: 867021-92-9
4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine]

: 693789-34-3
tert-butyl 4,5-dihydro-3H-spiro[benzo[b]-[1,4]oxazepine-2,4'-pipeidine]-1'-carboxylate

Guidance literature:: With sulfonic-acid-functionalized silica; In dichloromethane; acetonitrile; at 20 ℃; for 0.25h;
DOI:10.1016/j.tetlet.2006.08.093

Reference yield:

: 693789-32-1
1'-benzyl-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine]

: 693789-34-3
tert-butyl 4,5-dihydro-3H-spiro[benzo[b]-[1,4]oxazepine-2,4'-pipeidine]-1'-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd/C / methanol / 18 h

2: Et₃N / CH₂Cl₂; dioxane / 2 h

With hydrogen; triethylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; dichloromethane;
DOI:10.1016/j.tetlet.2003.11.079