N-benzyl-4-bromoaniline

Base Information

• Chemical Name: N-benzyl-4-bromoaniline
• CAS No.: 2879-83-6
• Molecular Formula: C13H12 Br N
• Molecular Weight: 262.149
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID50359398
• Nikkaji Number: J1.220.105B
• Wikidata: Q82140596
• ChEMBL ID: CHEMBL2296106
• Mol file: 2879-83-6.mol

Synonyms:N-benzyl-4-bromoaniline;2879-83-6;CHEMBL2296106;BENZYL-(4-BROMO-PHENYL)-AMINE;SCHEMBL1242563;(4-bromophenyl)phenylmethylamine;DTXSID50359398;N-benzyl-N-(4-bromophenyl)amine;AZLKZLKCCRFAAE-UHFFFAOYSA-N;CAA87983;BDBM50489069;MFCD01427002;AKOS000240456;BS-2051;CS-0270020;FT-0747765;EN300-167291;A870280

Chemical Property of N-benzyl-4-bromoaniline

Chemical Property:

• Vapor Pressure: 0.00176mmHg at 25°C
• Melting Point: 51-52 °C
• Refractive Index: 1.665
• Boiling Point: 293.1°Cat760mmHg
• PKA: 3.18±0.20(Predicted)
• Flash Point: 131°C
• PSA: 12.03000
• Density: 1.496g/cm³
• LogP: 4.13420
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.01531
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

N-Benzyl-4-bromoaniline 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=CC=C(C=C2)Br

Technology Process of N-benzyl-4-bromoaniline

There total 46 articles about N-benzyl-4-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: 99.0%

benzaldehyde (100-52-7) + 4-bromo-aniline (106-40-1) → N-benzyl-N-(4-bromophenyl)amine (2879-83-6)

Guidance literature:

With (2,6-dichlorophenyl)bis(2,3,5,6-tetrafluorophenyl)borane; hydrogen; In tetrahydrofuran; at 100 ℃; for 6h; under 15201 Torr; Sealed tube; Molecular sieve; Autoclave; Green chemistry;

DOI:10.1021/jacs.8b03626

Reference yield: 99.0%

N-benzylidene-4-bromoaniline (780-20-1) → N-benzyl-N-(4-bromophenyl)amine (2879-83-6)

Guidance literature:

With sodium hydride; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1039/d0nj01423k

Reference yield: 98.0%

4-bromo-aniline (106-40-1) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyl-N-(4-bromophenyl)amine (2879-83-6)

Guidance literature:

With C₅₅H₄₃ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); potassium hydroxide; In toluene; at 140 ℃; for 2h; Sealed tube;

DOI:10.1002/ejoc.201700486

upstream raw materials:

N-benzyl-N-(4-bromo-phenyl)-hydroxylamine

benzyl chloride

4-bromo-aniline

N-benzylidene-4-bromoaniline

Downstream raw materials:

N-(4-phenyl-1-buten-4-yl)-4-bromobenzenamine

O,O'-diethyl [(4-bromophenylamino)(phenyl)methyl]phosphonate

6-bromo-2,4-diphenylquinoline

Refernces

• 1、 Szymor-Pietrzak, Damian,Khan, Muhammad N.,Pagès, Ana?s,Kumar, Ajay,Depner, Noah,Clive, Derrick L. J.. "Formation of 3-Aminophenols from Cyclohexane-1,3-diones". . p. 619 - 631. Retrieved 2020/12/23.
• 2、 Wu, Di,Bu, Qingqing,Guo, Cheng,Dai, Bin,Liu, Ning. "Cooperative catalysis of molybdenum with organocatalysts for distribution of products between amines and imines". . . Retrieved 2021/02/02.