2,3-dihydro-1H-pyrrolizin-1-one

Base Information

• Chemical Name: 2,3-dihydro-1H-pyrrolizin-1-one
• CAS No.: 17266-64-7
• Molecular Formula: C7H7 N O
• Molecular Weight: 121.139
• Hs Code.: 2933990090
• European Community (EC) Number: 838-350-9
• NSC Number: 116800
• UNII: 292J811G3P
• DSSTox Substance ID: DTXSID80169366
• Nikkaji Number: J1.308.747D
• Wikidata: Q27254364
• Mol file: 17266-64-7.mol

Synonyms:3H-1,2-dihydro-1-pyrrolizinone

Chemical Property of 2,3-dihydro-1H-pyrrolizin-1-one

Chemical Property:

• Vapor Pressure: 0.0636mmHg at 25°C
• Boiling Point: 231.1°Cat760mmHg
• Flash Point: 93.5°C
• PSA: 22.00000
• Density: 1.26g/cm³
• LogP: 1.07450
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 121.052763847
• Heavy Atom Count: 9
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dihydro-1H-pyrrolizine-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C=CC=C2C1=O
• Uses: 2,3-Dihydro-1H-pyrrolizine-1-one is used in the synthesis of cannabinoid analogues with pyrrole moieties.

Technology Process of 2,3-dihydro-1H-pyrrolizin-1-one

There total 7 articles about 2,3-dihydro-1H-pyrrolizin-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%

carbon monoxide (201230-82-2) + 1-(2-bromo-ethyl)-2-methanesulfonyl-1H-pyrrole (280783-30-4) → 1,2-dihydro-1-pyrrolizinone (17266-64-7) + 1-ethyl-2-methanesulfonyl-1H-pyrrole

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 95 - 100 ℃; under 60800 Torr;

DOI:10.1016/S0040-4039(00)00342-7

Reference yield: 75.0%

3-(pyrrol-1-yl)propanenitrile (43036-06-2) → 1,2-dihydro-1-pyrrolizinone (17266-64-7)

Guidance literature:

3-(pyrrol-1-yl)propanenitrile; With aluminium trichloride; potassium chloride; sodium chloride; at 120 ℃; for 0.0333333h;

With water; at 35 - 90 ℃; for 1h;

Reference yield: 23.0%

phenyl 3-(1H-pyrrol-1-yl)propaneselenoate → 1,2-dihydro-1-pyrrolizinone (17266-64-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In cyclohexane; acetonitrile; at 80 ℃;

DOI:10.1016/S0040-4039(01)01639-2

upstream raw materials:

3-(pyrrol-1-yl)propanenitrile

diethyl ether

(E)-3-Ureido-but-2-enoic acid ethyl ester

carbon monoxide

Downstream raw materials:

1-Hydroxy-3H-1,2-dihydro-pyrrolo<1,2-a>pyrrol