Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Base Information

• Chemical Name: Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
• CAS No.: 183673-70-3
• Molecular Formula: C12H19N3O4
• Molecular Weight: 269.301
• Hs Code.: 2933990090
• European Community (EC) Number: 800-142-0
• DSSTox Substance ID: DTXSID10394467
• Wikidata: Q72472947
• Mol file: 183673-70-3.mol

Synonyms:183673-70-3;Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;8-BOC-2,4,8-TRIAZASPIRO[4.5]DECANE-1,3-DIONE;1-T-BOC-PIPERIDINE-4-SPIRO-5'-HYDANTOIN;2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester;MFCD03425517;2,4-dioxo-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester;CS-WAA0323;SCHEMBL1632532;DTXSID10394467;DHJXKTPWDXJQEK-UHFFFAOYSA-N;AKOS012144866;SB11561;SS-2050;BP-10817;SY005101;AM20090074;FT-0663556;EN300-65745;A850259;W-206315;F6660-4473;Z1021429308;8-tert-butoxycarbonyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione;tert-butyl 2,4-dioxo-1,3,8-triaza-8-spiro[4.5]decane-carboxylate;tert-butyl 2,4-dioxo-1,3,8-triaza-8-spiro[4.5]decanecarboxylate;tert-Butyl 2,4dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;2,4-dioxo-1,3,8-triaza-spiro[4,5]decane-8-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Chemical Property:

• Melting Point: 242-244oC
• PKA: 10.10±0.20(Predicted)
• PSA: 87.74000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 1.19100
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane, DMSO, Methanol
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.13755610
• Heavy Atom Count: 19
• Complexity: 419

Purity/Quality:

97% ^*data from raw suppliers

1-t-Boc-piperidine-4-spiro-5’-hydantoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=O)N2

Technology Process of Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

There total 15 articles about Tert-butyl 2,4-dioxo-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: 99.0%

potassium cyanide + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (183673-70-3)

Guidance literature:

In methanol; water; at 90 ℃; for 0.166667h; Sealed tube; Microwave irradiation;

DOI:10.1016/j.tetlet.2016.05.065

Reference yield: 95.0%

potassium cyanide + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (183673-70-3)

Guidance literature:

With ammonium carbonate;

DOI:10.1021/jm201542d

Reference yield: 86.0%

potassium cyanide (151-50-8) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (183673-70-3)

Guidance literature:

In methanol; water; at 20 ℃; for 72h;

upstream raw materials:

sodium cyanide

ammonium carbonate

N-tert-butyloxycarbonylpiperidin-4-one

potassium cyanide

Downstream raw materials:

1-tert-butyloxycarbonylpiperidine-4-spiro-5'-(1',3'-bis(tertbutyloxy-carbonyl))hydantoin

C₂₄H₂₇N₃O₄

ER-824165-01

ER-824165-00