n-Benzyl-4-bromobenzamide

Base Information

• Chemical Name: n-Benzyl-4-bromobenzamide
• CAS No.: 80311-89-3
• Molecular Formula: C14H12BrNO
• Molecular Weight: 290.159
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60354758
• Nikkaji Number: J1.786.400I
• Wikidata: Q82133146
• ChEMBL ID: CHEMBL1885762
• Mol file: 80311-89-3.mol

Synonyms:n-benzyl-4-bromobenzamide;80311-89-3;N-BENZYL 4-BROMOBENZAMIDE;Cambridge id 5214056;MLS000692855;SCHEMBL8042301;CHEMBL1885762;DTXSID60354758;HMS2644G23;MFCD00443890;AKOS000186162;AS-58472;SMR000285612;CS-0187578;D97526;A864706

Chemical Property of n-Benzyl-4-bromobenzamide

Chemical Property:

• Vapor Pressure: 3.52E-08mmHg at 25°C
• Melting Point: 160-162 °C
• Boiling Point: 446.9oC at 760 mmHg
• PKA: 14.49±0.46(Predicted)
• Flash Point: 224.1oC
• PSA: 29.10000
• Density: 1.404g/cm3
• LogP: 3.77000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 289.01023
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

N-Benzyl4-bromobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of n-Benzyl-4-bromobenzamide

There total 45 articles about n-Benzyl-4-bromobenzamide 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: 100.0%

4-chlorobenzoyl chloride (586-75-4) + benzylamine (100-46-9) → 4-bromo-N-benzylbenzamide (80311-89-3)

Guidance literature:

4-chlorobenzoyl chloride; With pyridine; Pyrimidin-2(1H)-one; In dichloromethane; for 0.05h; microwave irradiation;

benzylamine; In dichloromethane; for 0.05h; microwave irradiation;

DOI:10.1016/S0040-4039(02)01478-8

Reference yield: 99.0%

4-bromobenzenemethanol (873-75-6) + benzylamine (100-46-9) → 4-bromo-N-benzylbenzamide (80311-89-3)

Guidance literature:

With C₄₉H₄₁N₄O₂P₂RuS⁽¹⁺⁾*NO₃^(1-); potassium tert-butylate; In toluene; at 120 ℃; for 12h; Green chemistry;

DOI:10.1016/j.ica.2015.12.024

Reference yield: 99.0%

4-Bromobenzoic acid (586-76-5) + benzylamine (100-46-9) → 4-bromo-N-benzylbenzamide (80311-89-3)

Guidance literature:

With Bromotrichloromethane; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine; In tetrahydrofuran; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tet.2013.03.021

upstream raw materials:

(E)-N-benzyl-1-(4-bromophenyl)methanimine

4-chlorobenzoyl chloride

benzylamine

4-Bromobenzoic acid

Downstream raw materials:

4'-tert-Butyl-2'-methoxymethoxy-biphenyl-4-carboxylic acid benzylamide

p-bromobenzamide

benzaldehyde

N-benzyl-4-(3-pentanoylbenzyl)-benzamide