2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane

Base Information

• Chemical Name: 2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane
• CAS No.: 77415-72-6
• Molecular Formula: C21H26 N2
• Molecular Weight: 306.451
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00364033
• Wikidata: Q82147803
• Mol file: 77415-72-6.mol

Synonyms:2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane;77415-72-6;2,7-Diazaspiro[4.4]nonane, 2,7-bis(phenylmethyl)-;SCHEMBL5243003;DTXSID00364033;CDA41572;2,7-Dibenzyl-2,7-diazaspiro4.4nonane;2,7-Dibenzyl-2,7-diaza-spiro4.4nonane;CS-0455724;Ethyl 4-(4-chloro-1-oxobutyl)-a,a-dimethylbenzene acetate

Chemical Property of 2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane

Chemical Property:

• PSA: 6.48000
• LogP: 3.66040
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 306.209598838
• Heavy Atom Count: 23
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC12CCN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of 2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane

There total 5 articles about 2,7-Dibenzyl-2,7-diazaspiro[4.4]nonane 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:

diethyl 3,3-dicyanoglutarate (77415-69-1) → 2,7-bis(phenylmethyl)-2,7-diazaspiro<4.4>nonane (77415-72-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / conc. H₂SO₄ / acetic acid / 0.5 h / Heating

2: 1.) sodium hydroxide, 2.) / 1.) ethanol, room temp., 2 h, 2.) DMF, 80-90 deg C, 24 h

3: lithium aluminum hydride / tetrahydrofuran / 36 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; acetic acid;

DOI:10.1021/jo00326a031

Reference yield:

2,7-bis(phenylmethyl)-2,7-diazaspiro<4.4>nonane-3,8-dione (128243-97-0) → 2,7-bis(phenylmethyl)-2,7-diazaspiro<4.4>nonane (77415-72-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; 1.) RT, overnight, 2.) reflux, 1 h;

DOI:10.1021/jm00170a035

Reference yield:

2,7-diazaspiro<4.4>nonane-3,8-dione (82379-18-8,84296-36-6,947239-51-2) → 2,7-bis(phenylmethyl)-2,7-diazaspiro<4.4>nonane (77415-72-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 0.5 h, 2.) overnight

2: lithium aluminum hydride / tetrahydrofuran / 1.) RT, overnight, 2.) reflux, 1 h

With lithium aluminium tetrahydride; sodium hydride; In tetrahydrofuran;

DOI:10.1021/jm00170a035

upstream raw materials:

2,7-bis(phenylmethyl)-2,7-diazaspiro<4.4>nonane-3,8-dione

2,7-Dibenzyl-2,7-diazaspiro<4.4>nonane-1,3,6,8-tetraone

diethyl 3,3-dicyanoglutarate

2,7-diaza-spiro[4.4]nonane-1,3,6,8-tetraone

Downstream raw materials:

2,7-diazaspiro[4.4]nonane

2,7-diazaspiro[4.4]nonane (dihydrobromide)