4-tert-butyl-N-cyclohexylbenzamide

Base Information

• Chemical Name: 4-tert-butyl-N-cyclohexylbenzamide
• CAS No.: 101927-54-2
• Molecular Formula: C17H25NO
• Molecular Weight: 259.38600
• Hs Code.: 2924299090
• European Community (EC) Number: 651-532-0
• Nikkaji Number: J1.217.721F
• Mol file: 101927-54-2.mol

Synonyms:4-tert-butyl-N-cyclohexylbenzamide;101927-54-2;4-(tert-Butyl)-N-cyclohexylbenzamide;SCHEMBL10212094;STK862119;AKOS002160723;Z31484256

Chemical Property of 4-tert-butyl-N-cyclohexylbenzamide

Chemical Property:

• PSA: 29.10000
• LogP: 4.43750
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 259.193614421
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

4-TERT-BUTYL-N-CYCLOHEXYLBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCCCC2

Technology Process of 4-tert-butyl-N-cyclohexylbenzamide

There total 10 articles about 4-tert-butyl-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: 94.0%

1-bromo-4-tert-butylbenzene (3972-65-4) + N-cyclohexylformamide (766-93-8) → 4-(tert-butyl)-N-cyclohexylbenzamide (101927-54-2)

Guidance literature:

With tris(2,4-di-tert-butylphenyl)phosphite; potassium methanolate; nickel(II) acetate tetrahydrate; In diethylene glycol dimethyl ether; at 110 ℃; for 10h;

DOI:10.1021/jo901065y

Reference yield: 93.0%

4-tert-butylbenzyl cyanide (3288-99-1) + cyclohexylamine (108-91-8,157973-60-9) → 4-(tert-butyl)-N-cyclohexylbenzamide (101927-54-2)

Guidance literature:

With 5 wt% ruthenium/carbon; oxygen; In tetrahydrofuran; at 30 ℃; for 23h;

DOI:10.1039/c7cy00761b

Reference yield: 69.0%

4-tert-Butylbenzaldehyde (939-97-9) + cyclohexylamine (108-91-8,157973-60-9) → 4-(tert-butyl)-N-cyclohexylbenzamide (101927-54-2)

Guidance literature:

4-tert-Butylbenzaldehyde; With ethyl tribromoacetate; dibenzoyl peroxide; In chlorobenzene; at 110 ℃; for 24h;

cyclohexylamine; With triethylamine; In chlorobenzene; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.11.013

upstream raw materials:

cyclohexylamine

p-tert-butyl benzoyl chloride

4-tert.-Butyl-benzoylbromid

4-tert-Butylbenzaldehyde