Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate

Base Information

• Chemical Name: Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
• CAS No.: 240401-28-9
• Molecular Formula: C13H23NO3
• Molecular Weight: 241.331
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10431487
• Wikidata: Q82245394
• Mol file: 240401-28-9.mol

Synonyms:Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;240401-28-9;7-Boc-2-hydroxy-7-azaspiro[3.5]nonane;MFCD14584466;2-Hydroxy-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester;7-Boc-7-azaspiro[3.5]nonan-2-ol;SCHEMBL1474868;DTXSID10431487;QTKGBUXGQNHIIM-UHFFFAOYSA-N;AMY16558;7-Boc-7-azaspiro[3.5]nonane-2-ol;AKOS016008184;PB11119;AC-30358;AS-42007;SY098616;CS-0045416;FT-0729687;EN300-153673;t-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;Tert-butyl2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;7-(tert-butoxycarbonyl)-2-hydroxy-7-azaspiro[3.5]nonane;tert-butyl 2-hydroxy-7-aza-spiro[3.5]-nonane-7-carboxylate

Chemical Property of Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate

Chemical Property:

• Boiling Point: 350.7±42.0 °C(Predicted)
• PKA: 14.99±0.20(Predicted)
• PSA: 49.77000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 2.09630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.16779360
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl2-Hydroxy-7-azaspiro[3.5]nonane-7-carboxylate ^*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)CC(C2)O

Technology Process of Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate

There total 5 articles about Tert-butyl 2-hydroxy-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: 99.2%

tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate (203661-69-2) → 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (240401-28-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 1h;

DOI:10.1021/jm4014828

Reference yield:

ammonium chloride + tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate (203661-69-2) → 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (240401-28-9)

Guidance literature:

With sodium borohydrid; In ethanol;

Reference yield:

tert-butyl 4-methylidenepiperidine-1-carboxylate (159635-49-1) → 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (240401-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc/copper couple / 1,2-dimethoxyethane; tert-butyl methyl ether / 15 - 20 °C / Inert atmosphere

2: sodium tetrahydroborate / methanol / 2 h / 0 - 20 °C / Inert atmosphere

With sodium tetrahydroborate; zinc/copper couple; In methanol; 1,2-dimethoxyethane; tert-butyl methyl ether;

upstream raw materials:

tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 4-methylidenepiperidine-1-carboxylate

tert-butyl 1,1-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

Downstream raw materials:

Tert-butyl 2-(4-chlorophenoxy)-7-aza-spiro[3.5]-nonane-7-carboxylate

2-methyl-2H-[1,2,4]triazol-3-ylmethyl 2-(4-chlorophenoxy)-7-aza-spiro[3.5]nonane-7-carboxylate hydrochloride

C₂₄H₂₆Cl₂FN₅O

(R)-tert-butyl 2-(4-(6-amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-3-yl)-1H-pyrazol-1-yl)-7-azaspiro[3.5]nonane-7-carboxylate

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