4-chloro-N-(4-methylphenyl)benzamide

Base Information

• Chemical Name: 4-chloro-N-(4-methylphenyl)benzamide
• CAS No.: 2447-95-2
• Molecular Formula: C14H12 Cl N O
• Molecular Weight: 245.708
• Hs Code.: 2924299090
• European Community (EC) Number: 653-890-3
• NSC Number: 404983
• DSSTox Substance ID: DTXSID40323841
• Nikkaji Number: J492.673K
• Wikidata: Q82083105
• ChEMBL ID: CHEMBL428439
• Mol file: 2447-95-2.mol

Synonyms:4-chloro-N-(4-methylphenyl)benzamide;2447-95-2;4-Chloro-N-(p-tolyl)benzamide;NSC404983;SCHEMBL493839;4-Chloro-N-p-tolyl-benzamide;CHEMBL428439;4-CHLORO-P-BENZOTOLUIDIDE;DTXSID40323841;MFCD00087459;STK864457;AKOS000649737;N-(4-Methylphenyl)-4-chlorobenzamide;NSC 404983;NSC-404983;CS-0360385;EU-0068414;SR-01000402650;SR-01000402650-1

Chemical Property of 4-chloro-N-(4-methylphenyl)benzamide

Chemical Property:

• Vapor Pressure: 0.000807mmHg at 25°C
• Melting Point: 73 °C
• Boiling Point: 305.7°Cat760mmHg
• PKA: 13.15±0.70(Predicted)
• Flash Point: 138.7°C
• PSA: 29.10000
• Density: 1.25g/cm³
• LogP: 3.97370
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.0607417
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-N-(p-tolyl)benzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-chloro-N-(4-methylphenyl)benzamide

There total 36 articles about 4-chloro-N-(4-methylphenyl)benzamide 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: 97.0%

4-chlorobenzaldehyde (104-88-1) + p-toluidine (106-49-0,12221-03-3) → 4-chloro-N-(4-tolyl)benzamide (2447-95-2)

Guidance literature:

With [{(CH₂SiMe₂){(2,6-iPr₂C₆H₃)N}2}Y{N(SiMe₃)2}(THF)]; In toluene; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.200901015

Reference yield: 96.0%

4'-chloropropiophenone (6285-05-8) + di-p-tolylcarbodiimide (726-42-1) → 4-chloro-N-(4-tolyl)benzamide (2447-95-2)

Guidance literature:

With [{HMn(CO)₄}3]; In 1,4-dioxane; at 135 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201104704

Reference yield: 93.0%

p-toluidine (106-49-0,12221-03-3) + para-chlorobenzoic acid (74-11-3) → 4-chloro-N-(4-tolyl)benzamide (2447-95-2)

Guidance literature:

With ammonium peroxydisulfate; tetrabutylammomium bromide; potassium hydroxide; In water; at 20 ℃; for 3h; Irradiation;

upstream raw materials:

ethylmagnesium bromide

4-chlorobenzaldehyde

p-toluidine

S-phenyl 4-chlorobenzothioate

Downstream raw materials:

ethyl 4-chlorobenzoate

N¹-(p-methylphenyl)-N²-(m-nitrophenyl)acetamidine

N¹-(p-Chlorobenzoyl)-N¹-(p-methylphenyl)-N²-(m-nitrophenyl)-acetamidine

N¹-(p-chlorobenzoyl)-N¹-(p-methylphenyl)-N²-(p-nitrophenyl)formamidine

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