1-[3-(4-Chlorophenyl)acryloyl]pyrrolidine

Base Information

• Chemical Name: 1-[3-(4-Chlorophenyl)acryloyl]pyrrolidine
• CAS No.: 389572-71-8
• Molecular Formula: C13H14ClNO
• Molecular Weight: 0.00000
• DSSTox Substance ID: DTXSID601195010
• Nikkaji Number: J1.636.627G
• Mol file: 389572-71-8.mol

Synonyms:1-[3-(4-chlorophenyl)acryloyl]pyrrolidine;389572-71-8;2-Propen-1-one, 3-(4-chlorophenyl)-1-(1-pyrrolidinyl)-, (2E)-;(E)-3-(4-chlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one;DTXSID601195010;STK861569;AKOS000523516;AG-690/11152159;SR-01000310673;SR-01000310673-1;1-[(2E)-3-(4-chlorophenyl)-2-propenoyl]pyrrolidine;Z31480273;(E)-1-Pyrrolizino-3-(4-chlorophenyl)-2-propene-1-one;3-(4-chlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one;(2E)-3-(4-Chlorophenyl)-1-(1-pyrrolidinyl)-2-propen-1-one;(2E)-3-(4-chlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one

Chemical Property of 1-[3-(4-Chlorophenyl)acryloyl]pyrrolidine

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 235.0763918
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

1-(3-(4-CHLOROPHENYL)ACRYLOYL)PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C=CC2=CC=C(C=C2)Cl
• Isomeric SMILES: C1CCN(C1)C(=O)/C=C/C2=CC=C(C=C2)Cl

Technology Process of 1-[3-(4-Chlorophenyl)acryloyl]pyrrolidine

There total 2 articles about 1-[3-(4-Chlorophenyl)acryloyl]pyrrolidine 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: 70.0%

pyrrolidine (123-75-1) + cycl-isopropylidene malonate (2033-24-1) + 4-chlorobenzaldehyde (104-88-1) → (E)-3-(4-chlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one (389572-71-8)

Guidance literature:

In toluene; at 110 ℃; for 8h;

DOI:10.1039/c9gc02937k

Reference yield: 68.0%

4-chlorobenzaldehyde (104-88-1) + diethyl <2-oxo-2-(1-pyrrolidinyl)ethyl>phosphoante (66932-75-0) → (E)-3-(4-chlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one (389572-71-8)

Guidance literature:

With potassium carbonate; for 1h;

DOI:10.1080/00397911.2018.1550204

upstream raw materials:

4-chlorobenzaldehyde

diethyl <2-oxo-2-(1-pyrrolidinyl)ethyl>phosphoante

pyrrolidine

cycl-isopropylidene malonate