N,N-dibenzyl-4-fluorobenzamide

Base Information

• Chemical Name: N,N-dibenzyl-4-fluorobenzamide
• CAS No.: 88229-29-2
• Molecular Formula: C21H18FNO
• Molecular Weight: 319.378
• DSSTox Substance ID: DTXSID80385342
• Wikidata: Q82178065
• Mol file: 88229-29-2.mol

Synonyms:N,N-dibenzyl-4-fluorobenzamide;88229-29-2;Cambridge id 5190462;Oprea1_401373;Oprea1_687811;CBDivE_005049;DTXSID80385342;STK005543;AKOS002707221;N~1~,N~1~-dibenzyl-4-fluorobenzamide;AB00075070-01;AG-205/05841021

Chemical Property of N,N-dibenzyl-4-fluorobenzamide

Chemical Property:

• PSA: 20.31000
• LogP: 4.66830
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 319.137242360
• Heavy Atom Count: 24
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F

Technology Process of N,N-dibenzyl-4-fluorobenzamide

There total 9 articles about N,N-dibenzyl-4-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: 91.0%

4-fluoroboronic acid (1765-93-1) + C16H14BrF2NO → N,N-dibenzyl-4-fluorobenzamide (88229-29-2)

Guidance literature:

With potassium fluoride; 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene; copper(ll) bromide; magnesium chloride; for 8h; Inert atmosphere; Heating;

DOI:10.3390/molecules26102957

Reference yield: 89.0%

C16H14BrF2NO + 2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (214360-58-4) → N,N-dibenzyl-4-fluorobenzamide (88229-29-2)

Guidance literature:

With potassium fluoride; 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene; copper(ll) bromide; magnesium chloride;

DOI:10.3390/molecules26102957

Reference yield: 88.0%

C8H10FS(1+)*CF3O3S(1-) + C16H14BrF2NO → N,N-dibenzyl-4-fluorobenzamide (88229-29-2)

Guidance literature:

With potassium fluoride; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; p-tert-Butylcalix[5]arene; copper(ll) bromide; magnesium chloride; for 11h; Inert atmosphere; Heating;

DOI:10.3390/molecules26102957

upstream raw materials:

4-fluorobenzoyl chloride

dibenzylamine

benzylamine

N,N-dibenzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-amine

Downstream raw materials:

N,N-dibenzyl-1-(4-fluorophenyl)methanamine

dimethyl 2-((N,N-dibenzylamino)(4-fluorophenyl)methylene)malonate