2,3-dihydro-1H-pyrrolizine

Base Information

• Chemical Name: 2,3-dihydro-1H-pyrrolizine
• CAS No.: 13618-87-6
• Molecular Formula: C7H9N
• Molecular Weight: 107.155
• NSC Number: 89242
• DSSTox Substance ID: DTXSID70293402
• Nikkaji Number: J554.332K
• Wikidata: Q82032111
• Mol file: 13618-87-6.mol

Synonyms:2,3-dihydro-1H-pyrrolizine;13618-87-6;NSC 89242;dihydropyrrolizine;NSC89242;SCHEMBL256064;1,2,3,4-tetrahydro-pyrrolizine;DTXSID70293402;NSC-89242

Chemical Property of 2,3-dihydro-1H-pyrrolizine

Chemical Property:

• Vapor Pressure: 0.991mmHg at 25°C
• Boiling Point: 184.7°Cat760mmHg
• Flash Point: 65.5°C
• Density: 1.08g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 107.073499291
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CN2C1

Technology Process of 2,3-dihydro-1H-pyrrolizine

There total 2 articles about 2,3-dihydro-1H-pyrrolizine 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: 2.7%

1-(prop-2-yn-1-yl)pyrrolidine (7223-42-9) → 1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole (13618-87-6) + 1,2-propanediene (463-49-0) + 2,3,5,7a-tetrahydro-1H-pyrrolizine (51463-41-3,851390-85-7) + dodecahydro-3a,6a,9a-triaza-trindene (5981-17-9,64314-29-0)

Guidance literature:

at 450 ℃; under 12 Torr; Product distribution; Mechanism; other temperature and pressure;

DOI:10.1021/jo00071a015

Reference yield:

3H-pyrrolizine (251-60-5) → pyrrolizidine (643-20-9) + 2-n-propylpyrrole (1551-08-2) + 1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole (13618-87-6)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; In ethanol; at 20 ℃; for 8h; under 2844.39 Torr;

DOI:10.1039/b910199c

Reference yield:

1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole (13618-87-6) → 7-Nitro-1,2-dihydropyrrolizine (107260-22-0) + 5-Nitro-1,2-dihydropyrrolizine (107260-15-1) + 6-Nitro-1,2-dihydropyrrolizine (107260-19-5)

Guidance literature:

With nitric acid; acetic anhydride; at -60 - -50 ℃; for 1.66667h; Product distribution;

DOI:10.1007/BF00514990

upstream raw materials:

1-(prop-2-yn-1-yl)pyrrolidine

3H-pyrrolizine

Downstream raw materials:

7-Nitro-1,2-dihydropyrrolizine

5-Nitro-1,2-dihydropyrrolizine

6-Nitro-1,2-dihydropyrrolizine