Benzylidene-p-bromoaniline

Base Information

• Chemical Name: Benzylidene-p-bromoaniline
• CAS No.: 780-20-1
• Molecular Formula: C13H10BrN
• Molecular Weight: 260.133
• Hs Code.: 2925290090
• European Community (EC) Number: 667-640-6
• NSC Number: 95600
• DSSTox Substance ID: DTXSID001033959
• Nikkaji Number: J103.416B
• Mol file: 780-20-1.mol

Synonyms:Benzylidene-p-bromoaniline;Aniline, N-benzylidene-p-bromo-;Aniline, p-bromo-N-benzylidene-;Benzenamine, 4-bromo-N-(phenylmethylene)-;780-20-1;N-Benzylidene-p-bromoaniline;(E)-N-Benzylidene-4-bromoaniline;4-Bromo-N-[(E)-phenylmethylidene]aniline;1-Bromobezene,4-benzylidenamino;Benzylidene-(4-bromophenyl)-amine;4-Bromo-N-[(E)-phenylmethylidene]aniline #;p-bromobenzalaniline;NSC95600;benzylidene-4-bromoaniline;NCIOpen2_005954;N-Benzylidine-4-bromoaniline;SCHEMBL1872622;DJGDQBWKJYPZEF-XNTDXEJSSA-N;DTXSID001033959;NSC-95600;STL481473;AKOS024124112;N-(4-bromophenyl)-N-(1-phenylmethylidene)amine;1750-23-8

Chemical Property of Benzylidene-p-bromoaniline

Chemical Property:

• Vapor Pressure: 5.06E-05mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 359 °C at 760 mmHg
• Flash Point: 170.9 °C
• PSA: 12.36000
• Density: 1.28g/cm³
• LogP: 4.19970
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 258.99966
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

N-BENZYLIDENE-4-BROMOANILINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NC2=CC=C(C=C2)Br

Technology Process of Benzylidene-p-bromoaniline

There total 29 articles about Benzylidene-p-bromoaniline 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: 98.0%

4-bromo-aniline (106-40-1) + benzyl alcohol (100-51-6,185532-71-2) → N-benzylidene-4-bromoaniline (780-20-1)

Guidance literature:

With tetramethyl ammoniumhydroxide; In water; toluene; at 80 ℃; for 12h;

DOI:10.1002/ejoc.202101135

Reference yield: 95.0%

benzaldehyde (100-52-7) + 4-bromo-aniline (106-40-1) → N-benzylidene-4-bromoaniline (780-20-1)

Guidance literature:

With montmorillonite; at 20 ℃; for 0.216667h; Neat (no solvent);

DOI:10.1002/jccs.201100354

Reference yield: 95.0%

C12H17BBrNO2 + benzaldehyde (100-52-7) → N-benzylidene-4-bromoaniline (780-20-1)

Guidance literature:

In benzene-d6; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201814081

upstream raw materials:

pyridine

ethanol

(E)-benzyliden-aniline; compound with bromine (1:2)

(m-nitrobenzylidene)-p-bromoaniline

Downstream raw materials:

4-[1-(4-bromo-phenyl)-3,4-diphenyl-[1,3]diazetidin-2-yl]-phenol

N-benzyl-N-(4-bromophenyl)amine

N-(p-hydroxybenzylidene)aniline

(4-bromophenyl)diazonium chloride

Refernces

• 1、 Wang, Kai,Wei, Tingting,Zhang, Yujia,Hou, Jiahao,Bai, Renren,Xie, Yuanyuan. "Metal-free regioselective C-H amination for the synthesis of pyrazole-containing 2H-indazoles". . p. 1787 - 1794. Retrieved 2021/03/14.
• 2、 Bari, Shamsher S.,Nagpal, Reshma,Pandey, Suvidha,Thakur, Aarti,Thapar, Renu. "A highly stereoselective oxidation and an easy one pot elimination methodology for 3-allyl-3-phenylthio-β-lactams". . . Retrieved 2021/12/24.