4-bromo-N-cyclohexylbenzamide

Base Information

• Chemical Name: 4-bromo-N-cyclohexylbenzamide
• CAS No.: 223553-87-5
• Molecular Formula: C13H16 Br N O
• Molecular Weight: 282.18
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90354327
• Nikkaji Number: J2.021.340J
• Wikidata: Q82132396
• Mol file: 223553-87-5.mol

Synonyms:4-bromo-N-cyclohexylbenzamide;223553-87-5;N-Cyclohexyl 4-bromobenzamide;N-Cyclohexyl4-bromobenzamide;Oprea1_097402;SCHEMBL4768172;DTXSID90354327;DGWYSLFXFNWAMT-UHFFFAOYSA-N;YIA55387;MFCD00451750;AKOS000173286;BS-23739;CS-0450066;A878583;SR-01000400792;SR-01000400792-1

Chemical Property of 4-bromo-N-cyclohexylbenzamide

Chemical Property:

• Vapor Pressure: 5.8E-07mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 410.9°Cat760mmHg
• Flash Point: 202.3°C
• PSA: 29.10000
• Density: 1.37g/cm³
• LogP: 3.90250
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 281.04153
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

N-Cyclohexyl4-bromobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)C2=CC=C(C=C2)Br

Technology Process of 4-bromo-N-cyclohexylbenzamide

There total 7 articles about 4-bromo-N-cyclohexylbenzamide 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%

cyclohexylamine (108-91-8,157973-60-9) + 4-chlorobenzoyl chloride (586-75-4) → N-(cyclohexyl)-4-bromobenzamide (223553-87-5)

Guidance literature:

With indium; In water; acetonitrile; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2004.01.114

Reference yield: 85.0%

4-bromobenzenecarbonitrile (623-00-7) + cyclohexanol (108-93-0) → N-(cyclohexyl)-4-bromobenzamide (223553-87-5)

Guidance literature:

With magnetite nanoparticle-supported sulfonic acid; In neat (no solvent); at 90 ℃; for 5h;

DOI:10.1039/c3gc40457a

Reference yield: 77.0%

2-(cyclohexylamino)-2-oxoacetic acid (13144-62-2) + potassium 4-bromophenyltrifluoroborate (374564-35-9) → N-(cyclohexyl)-4-bromobenzamide (223553-87-5)

Guidance literature:

With dipotassium peroxodisulfate; palladium diacetate; silver nitrate; In water; dimethyl sulfoxide; acetonitrile; at 70 ℃; for 0.166667h;

DOI:10.1039/c1cc11635e

upstream raw materials:

cyclohexylamine

4-chlorobenzoyl chloride

4-Bromobenzoic acid

2-(cyclohexylamino)-2-oxoacetic acid

Downstream raw materials:

N'-cyclohexyl-N,N-diethylterephthalamide

4'-Bromopropiophenone

N-(1-(4-bromophenyl)pentyl)cyclohexanamine

N-benzoylcyclohexylamine