N-[2-(4-bromophenyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-fluorobenzamide

Base Information

• Chemical Name: N-[2-(4-bromophenyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-fluorobenzamide
• CAS No.: 6063-65-6
• Molecular Formula: C20H18BrFN2O2
• Molecular Weight: 140.036
• DSSTox Substance ID: DTXSID20364994
• ChEMBL ID: CHEMBL1362820
• Mol file: 6063-65-6.mol

Synonyms:N-[2-(4-bromophenyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-fluorobenzamide;6063-65-6;N-[(E)-1-(4-bromophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide;AE-848/14270022;MLS000701360;CHEMBL1362820;DTXSID20364994;HMS2556M14;STL352887;AKOS022136817;SMR000225080;BIM-0043414.P001;SR-01000226594;SR-01000226594-1;N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-2-fluorobenzamide

Chemical Property of N-[2-(4-bromophenyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-fluorobenzamide

Chemical Property:

• Vapor Pressure: 1.21E-16mmHg at 25°C
• Boiling Point: 647.4°Cat760mmHg
• Flash Point: 345.3°C
• Density: 1.465g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 416.05357
• Heavy Atom Count: 26
• Complexity: 540

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3F
• Isomeric SMILES: C1CCN(C1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3F

Technology Process of N-[2-(4-bromophenyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-fluorobenzamide

There total 2 articles about N-[2-(4-bromophenyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-fluorobenzamide 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: 54.0%

Bis-dimethylamino-n-butyl-boran (22656-78-6) + N-methyl-ethane-1,2-diamine (109-81-9) → 2-butyl-1-methyl-[1,3,2]diazaborolidine (6063-65-6) + dimethyl amine (124-40-3)

Guidance literature:

transamination, boiling the educts in inert atmosphere, distn. of the dimethylamine during the reaction; distn.;

DOI:10.1021/ic50039a006

Reference yield:

→ 2-butyl-1-methyl-[1,3,2]diazaborolidine (6063-65-6)

Guidance literature:

n-BuB(N(CH3)2)2, H2N-CH2-CH2-NH(CH3);

DOI:10.1021/ic50039a006

upstream raw materials:

Bis-dimethylamino-n-butyl-boran

N-methyl-ethane-1,2-diamine