4,7-Diazaspiro[2.5]octane

Base Information

• Chemical Name: 4,7-Diazaspiro[2.5]octane
• CAS No.: 99214-52-5
• Molecular Formula: C₆H₁₂N₂
• Molecular Weight: 112.175
• DSSTox Substance ID: DTXSID80571708
• Wikidata: Q72463325
• Mol file: 99214-52-5.mol

Synonyms:4,7-diazaspiro[2.5]octane;99214-52-5;4,7-Diaza-spiro[2.5]octane;4,7-diazaspiro[2,5]octane;SCHEMBL336284;DTXSID80571708;RLPYXXBIHMUZRE-UHFFFAOYSA-N;BCP28326;CS-B0650;ZDA21452;4,7-Diaza-spiro[2.5]octane 2HCl;AKOS006350044;PB13066;CS-13093;P10457;EN300-2960925;A898006;J-514171

Chemical Property of 4,7-Diazaspiro[2.5]octane

Chemical Property:

• Vapor Pressure: 0.429mmHg at 25°C
• Boiling Point: 195℃
• Flash Point: 92℃
• PSA: 24.06000
• Density: 1.05
• LogP: 0.36940
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 96.7

Purity/Quality:

98%Min ^*data from raw suppliers

4,7-Diaza-spiro[2.5]octane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC12CNCCN2

Technology Process of 4,7-Diazaspiro[2.5]octane

There total 6 articles about 4,7-Diazaspiro[2.5]octane 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: 72.2%

4,7-diazaspiro[2.5]octane-5,8-dione (129306-17-8) → 4,7-diazaspiro[2.5]octane (99214-52-5)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 - 66 ℃; Inert atmosphere;

Reference yield:

4-(trifluoroacetyl)-4,7-diazaspiro[2.5]octane hydrochloride (1199792-92-1) → 4,7-diazaspiro[2.5]octane (99214-52-5)

Guidance literature:

With potassium carbonate; In methanol; at 50 ℃; for 16h;

Reference yield:

7-benzyl-4,7-diazaspiro[2.5]octane (1222106-45-7) → 4,7-diazaspiro[2.5]octane (99214-52-5)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 18h;

upstream raw materials:

4,7-diazaspiro[2.5]octane-5,8-dione

4-(trifluoroacetyl)-4,7-diazaspiro[2.5]octane hydrochloride

7-benzyl-4,7-diazaspiro[2.5]octane-5,8-dione

7-benzyl-4,7-diazaspiro[2.5]octane

Downstream raw materials:

4,7-diazaspiro[2.5]octane-7-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Sulfamide derivative and application thereof". . . Retrieved 2017/08/29.
• 2、 -. "Spiro compound". . . Retrieved 2008/06/13.