Tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate

Base Information

• Chemical Name: Tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
• CAS No.: 864684-96-8
• Molecular Formula: C₁₂H₂₁NO₃
• Molecular Weight: 227.304
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID10590109
• Mol file: 864684-96-8.mol

Synonyms:864684-96-8;tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate;N-Boc-1-Oxa-7-aza-spiro[3.5]nonane;7-BOC-1-OXA-7-AZASPIRO[3.5]NONANE;1-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester;MFCD08706105;tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylat;tert-butyl1-oxa-7-azaspiro[3.5]nonane-7-carboxylate;SCHEMBL18053621;DTXSID10590109;AMY33990;AKOS015893277;PB10600;AS-32748;SY067590;DB-003200;CS-0000801;7-Boc-1-oxa-7-azaspiro[3.5]nonane, AldrichCPR;A852843;J-505037;tert-Butyl 3-oxa-7-azaspiro[3.5]nonane-7-carboxylate;1-Oxa-7-aza-spiro[3,5]nonane-7-carboxylic acid tert-butylester

Chemical Property of Tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate

Chemical Property:

• Vapor Pressure: 0.000427mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 315.8°C at 760 mmHg
• Flash Point: 144.8°C
• PSA: 38.77000
• Density: 1.1g/cm³
• LogP: 2.11430
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.15214353
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl1-Oxa-7-azaspiro[3.5]nonane-7-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 23-26-37-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CCO2

Technology Process of Tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate

There total 1 articles about Tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-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: 63.11%

trimethylsulfoxonium iodide (1774-47-6) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate (864684-96-8)

Guidance literature:

trimethylsulfoxonium iodide; With potassium tert-butylate; In tert-butyl alcohol; at 50 ℃; for 1h;

N-tert-butyloxycarbonylpiperidin-4-one; In tert-butyl alcohol; at 50 ℃; for 48h;

Reference yield:

tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate (864684-96-8) → 1-oxa-7-azaspiro[3.5]nonane (38674-21-4)

Guidance literature:

With trifluoroacetic acid; for 2h;

Reference yield:

tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate (864684-96-8) → 4-((5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyridin-2-yl)amino)-2-(2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

Guidance literature:

Multi-step reaction with 4 steps

1: trifluoroacetic acid / 2 h

2: tetra-(n-butyl)ammonium iodide; potassium carbonate / dimethyl sulfoxide / 2 h / 90 °C

3: hydrogen; palladium 10% on activated carbon / methanol / 1 h

4: potassium phosphate / 1,4-dioxane / 0.33 h / 100 °C

With potassium phosphate; palladium 10% on activated carbon; hydrogen; tetra-(n-butyl)ammonium iodide; potassium carbonate; trifluoroacetic acid; In 1,4-dioxane; methanol; dimethyl sulfoxide;

upstream raw materials:

trimethylsulfoxonium iodide

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

1-oxa-7-azaspiro[3.5]nonane