tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Base Information

Chemical Name:tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CAS No.:138091-53-9
Molecular Formula:C25H30N4O5
Molecular Weight:466.537
Hs Code.:
DSSTox Substance ID:DTXSID301113217
Mol file:138091-53-9.mol

Synonyms:SCHEMBL318333;CMMSZJHANODRGZ-UHFFFAOYSA-N;DTXSID301113217;tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate;138091-53-9;1,1-Dimethylethyl 3-[(4-nitrophenyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Suppliers and Price of tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Supply Marketing:

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

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Chemical Property of tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:466.22162007
Heavy Atom Count:34
Complexity:754

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

There total 3 articles about tert-Butyl 3-(4-nitrobenzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-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: 92.0%

: 138091-52-8
8-(tert-Butoxycarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 138091-53-9
1-phenyl-3-(p-nitrobenzyl)-8-(tert-butyloxycarbonyl)-1,3,8-triazaspiro<4.5>decan-4-one

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 65 ℃; for 4h;

Reference yield:

: 1021-25-6
1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

: 138091-53-9
1-phenyl-3-(p-nitrobenzyl)-8-(tert-butyloxycarbonyl)-1,3,8-triazaspiro<4.5>decan-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / CH₂Cl₂ / 20 h / Ambient temperature

2: 1.) sodium hydride (60percent dispersion in mineral oil) / 1.) THF, RT, 5 min, 2.) RT, 4 h

With sodium hydride; In dichloromethane;
DOI:10.1021/jm00081a002

Reference yield:

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

: 138091-53-9
1-phenyl-3-(p-nitrobenzyl)-8-(tert-butyloxycarbonyl)-1,3,8-triazaspiro<4.5>decan-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / CH₂Cl₂ / 20 h / Ambient temperature

2: 1.) sodium hydride (60percent dispersion in mineral oil) / 1.) THF, RT, 5 min, 2.) RT, 4 h

With sodium hydride; In dichloromethane;
DOI:10.1021/jm00081a002