3H-Pyrrolizin-3-one

Base Information

• Chemical Name: 3H-Pyrrolizin-3-one
• CAS No.: 34610-37-2
• Molecular Formula: C₇H₅NO
• Molecular Weight: 119.123
• DSSTox Substance ID: DTXSID70497529
• Nikkaji Number: J1.420.762G
• Mol file: 34610-37-2.mol

Synonyms:3H-Pyrrolizin-3-one;pyrrolizin-3-one;34610-37-2;SCHEMBL426650;DTXSID70497529

Chemical Property of 3H-Pyrrolizin-3-one

Chemical Property:

• Boiling Point: 130 °C(Press: 16 Torr)
• PSA: 22.00000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 1.15510
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.037113783
• Heavy Atom Count: 9
• Complexity: 174

Purity/Quality:

3H-Pyrrolizin-3-one 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=C1)C=CC2=O

Technology Process of 3H-Pyrrolizin-3-one

There total 1 articles about 3H-Pyrrolizin-3-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: 6.0%

Diethyl 2-<(pyrrol-2-yl)methylidene>malonate (91642-12-5) → Pyrrolizin-3-one (34610-37-2) + Ethyl 3-oxo-3H-pyrrolizine-2-carboxylate (75413-10-4)

Guidance literature:

at 600 ℃; for 0.333333h; under 0.008 Torr;

DOI:10.1039/a701749i

Reference yield: 94.0%

Pyrrolizin-3-one (34610-37-2) → 1,2,5,6,7,8-hexahydro-3H-pyrrolizin-3-one (32548-24-6)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; In ethanol; at 20 ℃; for 2h; under 2327.23 Torr;

DOI:10.1039/b910199c

Reference yield: 93.0%

Pyrrolizin-3-one (34610-37-2) → 1-Chloro-1,2-dihydro-3H-pyrrolizin-3-one (154367-52-9)

Guidance literature:

With hydrogenchloride; In dichloromethane;

DOI:10.1039/c39930001570 DOI:10.1039/b005620k

upstream raw materials:

Diethyl 2-<(pyrrol-2-yl)methylidene>malonate

Downstream raw materials:

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

1,2-dihydropyrrolizin-3-one

methyl (2Z)-3-(pyrrol-2-yl)prop-2-enoate

1,2-Dihydro-1-hydroxy-3H-pyrrolizin-3-one

Refernces