8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane

Base Information

• Chemical Name: 8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
• CAS No.: 37943-54-7
• Molecular Formula: C14H19 N O2
• Molecular Weight: 233.31
• Hs Code.: 2934999090
• European Community (EC) Number: 253-727-2
• DSSTox Substance ID: DTXSID301236974
• Nikkaji Number: J261.275E
• Wikidata: Q72441138
• Mol file: 37943-54-7.mol

Synonyms:37943-54-7;8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane;EINECS 253-727-2;8-Benzyl-1,4-dioxa-8-azaspiro(4.5)decane;8-Benzyl-1,4-dioxa-8-azaspiro[4,5]decane;Oprea1_125025;Oprea1_294078;1,4-Dioxa-8-azaspiro[4.5]decane,8-(phenylmethyl)-;SCHEMBL11686136;DTXSID301236974;AKOS000523951;AB10329;8-benzyl-1,4-dioxa-8-azaspiro [4,5] decane;8-benzyl-1,4-dioxa-8-aza-spiro [4,5] decane;8-(Phenylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane;1,4-Dioxa-8-azaspiro[4.5]decane, 8-(phenylmethyl)-;1325761-63-4

Chemical Property of 8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane

Chemical Property:

• Vapor Pressure: 0.000122mmHg at 25°C
• Boiling Point: 335.1°Cat760mmHg
• Flash Point: 120.4°C
• PSA: 21.70000
• Density: 1.14g/cm³
• LogP: 1.96340
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

96% ^*data from raw suppliers

8-BENZYL-1,4-DIOXA-8-AZASPIRO[4.5]DECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12OCCO2)CC3=CC=CC=C3

Technology Process of 8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane

There total 7 articles about 8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane 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: 98.0%

phenyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (84157-05-1) → 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane (37943-54-7)

Guidance literature:

With diethylzinc; lithium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 24h; chemoselective reaction; Catalytic behavior; Inert atmosphere;

DOI:10.1021/ol503430t

Reference yield: 97.0%

1-phenylmethyl-4-piperidone (3612-20-2) + ethylene glycol (107-21-1) → 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane (37943-54-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 24h; Heating;

Reference yield: 82.0%

benzyl bromide (100-39-0) + 4,4-ethylenedioxy-piperidine (177-11-7) → 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane (37943-54-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 1h;

upstream raw materials:

1-phenylmethyl-4-piperidone

ethylene glycol

1-benzyl-4-piperidone hydrochloride

benzyl bromide

Downstream raw materials:

4,4-ethylenedioxy-piperidine

2-((1-benzyl-4-methylpiperidin-4-yl)oxy)ethanol

N-Benzyl-4-(2'-hydroxyethoxy)-piperidine

2-(1-benzyl-4-propyl-4-piperidyloxy)-ethanol

Refernces

• 1、 -. "PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 54. . Retrieved 2015/09/23.
• 2、 Long, Toby R.,Maity, Pradip K.,Samarakoon, Thiwanka B.,Hanson, Paul R.. "ROMP-derived oligomeric phosphates for application in facile benzylation". supporting information; experimental part. p. 2904 - 2907. Retrieved 2010/09/30.