N-benzyl-4-tert-butylbenzamide

Base Information

• Chemical Name: N-benzyl-4-tert-butylbenzamide
• CAS No.: 101927-55-3
• Molecular Formula: C18H21NO
• Molecular Weight: 0.00000
• European Community (EC) Number: 651-538-3
• DSSTox Substance ID: DTXSID601245126
• Nikkaji Number: J1.261.507H
• ChEMBL ID: CHEMBL1517587
• Mol file: 101927-55-3.mol

Synonyms:N-benzyl-4-tert-butylbenzamide;101927-55-3;MLS000709104;SCHEMBL7113776;CHEMBL1517587;DTXSID601245126;HMS2679P13;STK068882;AKOS000640641;SMR000282971;4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide;AG-690/11152190

Chemical Property of N-benzyl-4-tert-butylbenzamide

Chemical Property:

• Melting Point: 143-144 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• Boiling Point: 433.2±34.0 °C(Predicted)
• PKA: 15.14±0.46(Predicted)
• PSA: 0.00000
• Density: 1.039±0.06 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 267.162314293
• Heavy Atom Count: 20
• Complexity: 304

Purity/Quality:

N-BENZYL-4-TERT-BUTYLBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

Technology Process of N-benzyl-4-tert-butylbenzamide

There total 12 articles about N-benzyl-4-tert-butylbenzamide 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%

N,N'-dimethylpiperazine (106-58-1) + 2-chloro-4,6-dimethoxy-1 ,3,5-triazine (3140-73-6) + benzylamine (100-46-9) → N-benzyl-4-(tert-butyl)benzamide (101927-55-3)

Guidance literature:

With citric acid; In tetrahydrofuran; dichloromethane; 4-(1,1-dimethylethyl)benzoic acid;

Reference yield: 97.0%

benzylamine (100-46-9) + p-tert-butyl benzoyl chloride (1710-98-1) → N-benzyl-4-(tert-butyl)benzamide (101927-55-3)

Guidance literature:

With triethylamine; calcium chloride; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2014.02.041

Reference yield: 92.0%

C14H22O2 (1380086-02-1) + benzylamine (100-46-9) → N-benzylpropanamide (10264-12-7) + N-benzyl-4-(tert-butyl)benzamide (101927-55-3)

Guidance literature:

With dichloro(benzene)ruthenium(II) dimer; N,N-diisopropylimidazolium bromide; sodium hydride; In toluene; acetonitrile; for 24h; Inert atmosphere; Reflux;

DOI:10.1021/ol3009842

upstream raw materials:

benzylamine hydrochloride

4-(1,1-dimethylethyl)benzoic acid

benzylamine

1,4-diaza-bicyclo[2.2.2]octane

Downstream raw materials:

3-(4-tert-butylphenyl)-5-(β-D-glucopyranosyl)-1,2,4-triazole

4-benzyl-5-(β-D-glucopyranosyl)-3-(4-tert-butylphenyl)-1,2,4-triazole

4-benzyl-5-(4-tert-butylphenyl)-3-(2',3',4',6'-tetra-O-benzoyl-β-D-glucopyranosyl)-1,2,4-triazole