7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one

Base Information

• Chemical Name: 7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one
• CAS No.: 119102-90-8
• Molecular Formula: C14H17 N O2
• Molecular Weight: 231.29
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30400695
• Mol file: 119102-90-8.mol

Synonyms:119102-90-8;7-benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one;2-Oxa-7-azaspiro[4.4]nonan-1-one,7-(phenylmethyl)-;7-Benzyl-2-oxa-7-aza-spiro[4.4]nonan-1-one;2-Oxa-7-azaspiro[4.4]nonan-1-one, 7-(phenylmethyl)-;7-(phenylmethyl)-2-oxa-7-azaspiro[4.4]nonan-1-one;SCHEMBL6628811;DTXSID30400695;QPZOFKOCEPRLRF-UHFFFAOYSA-N;MFCD05662789;AKOS015911128;7-Benzyl-2-oxa-7-aza-spiro4.4nonan-1-one;CS-0000908;FT-0734476;(+/-) 7-Benzyl-7-aza-2-oxaspiro[4,4]nonan-1-one;(+/-) 7-Benzyl-7-aza-2-oxaspiro[4.41nonan-1-one;(+/-)-7-Benzyl-7-aza-2-oxaspiro[4.4]nonan-1-one

Chemical Property of 7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one

Chemical Property:

• Vapor Pressure: 2.46E-06mmHg at 25°C
• Boiling Point: 391.5°Cat760mmHg
• Flash Point: 154.8°C
• PSA: 29.54000
• Density: 1.19g/cm³
• LogP: 1.76350
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC12CCOC2=O)CC3=CC=CC=C3

Technology Process of 7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one

There total 3 articles about 7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one 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: 81.0%

α-methylene-γ-butyrolactone (547-65-9) + N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine (93102-05-7) → 7-benzyl-7-aza-2-oxaspiro<4.4>nonan-1-one (119102-90-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jm00091a007

Reference yield:

oxirane (75-21-8,99932-75-9) + 1-benzylpyrrolidine-3-carboxylic acid methyl ester (17012-21-4) → 7-benzyl-7-aza-2-oxaspiro<4.4>nonan-1-one (119102-90-8)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; lithium diisopropyl amide; Yield given. Multistep reaction; 1.) Et₂O, hexane, -65 deg C, 0.25 h, 2.) Et₂O, hexane, a) from -65 deg C to RT, 2 h, b) reflux, 30 min;

DOI:10.1021/jm00113a009

Reference yield:

1-benzylpyrrolidine-3-carboxylic acid methyl ester (17012-21-4) → 7-benzyl-7-aza-2-oxaspiro<4.4>nonan-1-one (119102-90-8)

Guidance literature:

With oxirane; N,N,N,N,-tetramethylethylenediamine; lithium diisopropyl amide; Yield given. Multistep reaction; 1) Et₂O, -65 deg C, 2) reflux;

DOI:10.1016/S0040-4039(00)92056-2

upstream raw materials:

oxirane

1-benzylpyrrolidine-3-carboxylic acid methyl ester

α-methylene-γ-butyrolactone

N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine

Downstream raw materials:

1-Benzyl-4-ethoxycarbonyl-1-azonia-bicyclo[2.2.1]heptane; bromide

methyl 1-azabicyclo<2.2.1>heptane-4-carboxylate

ethyl 1-azabicyclo<2.2.1>hept-4-yl carboxylate

4-acetyl-1-azabicyclo[2.2.1]heptane