Pyrrolidine, 2-ethenyl-1-(phenylmethyl)-

Base Information

• Chemical Name: Pyrrolidine, 2-ethenyl-1-(phenylmethyl)-
• CAS No.: 64871-53-0
• Molecular Formula: C13H17N
• Molecular Weight: 187.285
• DSSTox Substance ID: DTXSID00392992
• Nikkaji Number: J1.201.251I
• Mol file: 64871-53-0.mol

Synonyms:1-benzyl-2-ethenylpyrrolidine;64871-53-0;Pyrrolidine, 2-ethenyl-1-(phenylmethyl)-;1-Benzyl-2-vinylpyrrolidine;N-benzyl-2-vinyl pyrrolidine;SCHEMBL3357129;DTXSID00392992;EN300-1865697

Chemical Property of Pyrrolidine, 2-ethenyl-1-(phenylmethyl)-

Chemical Property:

• PSA: 3.24000
• LogP: 2.77490
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CC1CCCN1CC2=CC=CC=C2

Technology Process of Pyrrolidine, 2-ethenyl-1-(phenylmethyl)-

There total 15 articles about Pyrrolidine, 2-ethenyl-1-(phenylmethyl)- 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: 99.0%

N-benzylhexa-4,5-dien-1-amine (88067-50-9) → 1-(N-benzylamino)-2-vinylpyrrolidine (64871-53-0)

Guidance literature:

With copper dichloride; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2008.09.003

Reference yield: 95.0%

(E)-6-(benzylamino)hex-2-en-1-yl isobutyl carbonate → 1-(N-benzylamino)-2-vinylpyrrolidine (64871-53-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tet.2013.09.043

Reference yield: 86.0%

6-(N-benzylamino)-2-hexenol → 1-(N-benzylamino)-2-vinylpyrrolidine (64871-53-0)

Guidance literature:

With silver hexafluoroantimonate; [AuCl[P(tBu)2(o-biphenyl)]]; In 1,4-dioxane; at 60 ℃; for 12h; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/ol103175w

upstream raw materials:

N-benzylhexa-4,5-dien-1-amine

(4-benzotriazol-1-yl-hex-5-enyl)-benzyl-amine

1-benzyl-2-pyrrolidone

vinyl magnesium bromide

Downstream raw materials:

(E)-1-Benzyl-3,3-dichloro-1,3,4,7,8,9-hexahydro-azonin-2-one

2-vinylpyrrolidine

(E)-3-(tert-butyldimethylsilyloxy)-1,3,6,7,8,9-hexahydro-3-phenyl-2H-azonin-2-one

(E)-3-(tert-butyldimethylsilyloxy)-2,3,6,7,8,9-hexahydro-3-phenyl-1H-azonine