6-Benzyl-1-oxa-6-azaspiro[2.5]octane

Base Information

• Chemical Name: 6-Benzyl-1-oxa-6-azaspiro[2.5]octane
• CAS No.: 19867-34-6
• Molecular Formula: C13H17 N O
• Molecular Weight: 203.284
• Hs Code.: 2934999090
• European Community (EC) Number: 243-383-1
• NSC Number: 279911
• UNII: 7QET787943
• DSSTox Substance ID: DTXSID60173623
• Nikkaji Number: J280.385B
• Wikidata: Q83043665
• Mol file: 19867-34-6.mol

Synonyms:6-benzyl-1-oxa-6-azaspiro[2.5]octane;19867-34-6;6-Benzyl-1-oxa-6-azaspiro(2,5)octane;1-Oxa-6-azaspiro[2.5]octane, 6-(phenylmethyl)-;6-benzyl-1-oxa-6-azaspiro[2,5]octane;EINECS 243-383-1;7QET787943;NSC-279911;1-Oxa-6-azaspiro(2.5)octane, 6-(phenylmethyl)-;6-(phenylmethyl)-1-oxa-6-azaspiro[2.5]octane;6-(PHENYLMETHYL)-1-OXA-6-AZASPIRO(2.5)OCTANE;NSC279911;SCHEMBL1966477;UNII-7QET787943;DTXSID60173623;C(c1ccccc1)N2CCC3(CC2)CO3;MFCD06808592;1-benzylpiperidin-4-spiro-2'-oxirane;CS-W000439;NSC 279911;PB41673;AM100469;BS-42758;N-benzyl-1-oxa-6-azaspiro[2,5]-octane;EN300-693669;1-OXA-6-AZASPIRO(2.5)OCTANE, 6-BENZYL-;A1-02895;Z1509484796

Chemical Property of 6-Benzyl-1-oxa-6-azaspiro[2.5]octane

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Boiling Point: 302.1°Cat760mmHg
• Flash Point: 89.1°C
• PSA: 15.77000
• Density: 1.12g/cm³
• LogP: 1.98930
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

6-Benzyl-1-oxa-6-azaspiro[2.5]octane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12CO2)CC3=CC=CC=C3

Technology Process of 6-Benzyl-1-oxa-6-azaspiro[2.5]octane

There total 9 articles about 6-Benzyl-1-oxa-6-azaspiro[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: 100.0%

1-phenylmethyl-4-piperidone (3612-20-2) + trimethylsulfoxonium iodide (1774-47-6) → N-benzyl-1-oxa-6-azaspiro[2,5]-octane (19867-34-6)

Guidance literature:

trimethylsulfoxonium iodide; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 10 - 20 ℃; for 1h;

1-phenylmethyl-4-piperidone; In dimethyl sulfoxide; mineral oil; at 20 ℃; for 1.5h;

Reference yield: 87.0%

1-phenylmethyl-4-piperidone (3612-20-2) + 1,1-dibromomethane (74-95-3) → N-benzyl-1-oxa-6-azaspiro[2,5]-octane (19867-34-6)

Guidance literature:

With methyllithium lithium bromide; In tetrahydrofuran; diethyl ether; at -80 - 20 ℃; for 0.025h; Flow reactor;

DOI:10.1021/acs.orglett.9b04072

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → N-benzyl-1-oxa-6-azaspiro[2,5]-octane (19867-34-6)

Guidance literature:

trimethylsulfoxonium iodide; With sodium hydride; In dimethyl sulfoxide; at 20 - 28 ℃; for 1h;

1-phenylmethyl-4-piperidone; In dimethyl sulfoxide; at 20 ℃; for 1h;

upstream raw materials:

1-phenylmethyl-4-piperidone

trimethylsulfoxonium iodide

trimethylsulphonium iodide

benzylamine

Downstream raw materials:

N-benzyl-4-(2-fluorophenoxy)-4-hydroxymethylpiperidine

N-benzyl-4-(2-fluorophenoxymethyl)-4-hydroxypiperidine

2-chloro-3-((N-benzyl-4'-hydroxypiperidin-4'-yl)methoxy)pyridine

4-(aminomethyl)-1-benzyl-4-hydroxypiperidine

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES". Paragraph 0315; 0320-0322. . Retrieved 2021/04/23.
• 2、 -. "ANTIMICROBIAL COMPOUNDS AND METHODS". Paragraph 00323. . Retrieved 2020/07/31.