Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

Base Information

• Chemical Name: Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
• CAS No.: 173405-78-2
• Molecular Formula: C₁₄H₂₆N₂O₂
• Molecular Weight: 254.373
• Hs Code.: 29339900
• European Community (EC) Number: 822-622-9
• DSSTox Substance ID: DTXSID00938379
• Wikidata: Q72502879
• Mol file: 173405-78-2.mol

Synonyms:173405-78-2;TERT-BUTYL 3,9-DIAZASPIRO[5.5]UNDECANE-3-CARBOXYLATE;3-Boc-3,9-Diazaspiro[5.5]undecane;3,9-Diaza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester;3,9-Diazaspiro[5.5]undecane-3-carboxylic acid tert-butyl ester;3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 1,1-dimethylethyl ester;MFCD05861627;SCHEMBL118654;tert-butyl3,9-diazaspiro[5.5]undecane-3-carboxylate;DTXSID00938379;YLKHACHFJMCIRE-UHFFFAOYSA-N;BCP22616;AKOS005263933;CS-W008818;GS-3659;PB23426;SB19956;AC-30837;SY009378;A3832;AM20090034;EN300-170883;3-tert-butoxycarbonyl-3,9-diaza-spiro[5.5]undecane;W-206055;tert-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;3,9-diaza-spiro[5,5]undecane-3-carboxylic acid tert-butyl ester;3,9-diazaspiro[5.5] undecane-3-carboxylic acid tert-butyl ester;tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate, AldrichCPR;3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLICACIDTERT-BUTYLESTER;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3-BOC-3,9-DIAZASPIRO[5.5]UNDECANE

Chemical Property of Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 0oC
• Refractive Index: 1.513
• Boiling Point: 0oC
• PKA: 11.00±0.20(Predicted)
• Flash Point: 0oC
• PSA: 41.57000
• Density: 1.05
• LogP: 2.65380
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.199428076
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3,9-Diazaspiro[5.5]undecane-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38-20/21/22-68
• Safety Statements: 26-36-36/37/39-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1

Technology Process of Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

There total 3 articles about Tert-butyl 3,9-diazaspiro[5.5]undecane-3-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:

tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate (929302-01-2) → tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (173405-78-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; at 40 ℃; for 40h; under 2327.23 Torr;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (173405-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / tetrahydrofuran / 30 h / 20 - 55 °C

2: palladium on activated charcoal; hydrogen / tetrahydrofuran / 40 h / 40 °C / 2327.23 Torr

With dmap; palladium on activated charcoal; hydrogen; triethylamine; In tetrahydrofuran;

Reference yield:

3-benzyl-3,9-diazaspiro[5.5]undecane (189333-49-1) → tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (173405-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / tetrahydrofuran / 30 h / 20 - 55 °C

2: palladium on activated charcoal; hydrogen / tetrahydrofuran / 40 h / 40 °C / 2327.23 Torr

With dmap; palladium on activated charcoal; hydrogen; triethylamine; In tetrahydrofuran;

upstream raw materials:

di-tert-butyl dicarbonate

3-benzyl-3,9-diazaspiro[5.5]undecane

tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate

Downstream raw materials:

tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecan-3-carboxylate

tert-butyl 9-benzoyl-3,9-diazaspiro[5.5]undecane-3- carboxylate

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