4-amino-N-butylbenzamide

Base Information

• Chemical Name: 4-amino-N-butylbenzamide
• CAS No.: 51207-84-2
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL350183
• DSSTox Substance ID: DTXSID10509998
• Nikkaji Number: J2.703.521C
• Wikidata: Q82367988
• Mol file: 51207-84-2.mol

Synonyms:4-amino-N-butylbenzamide;51207-84-2;CHEMBL350183;SCHEMBL5940563;DTXSID10509998;BCA20784;MFCD01940422;AKOS000159025;NCGC00326039-01;VS-07429;AB01321312-02

Chemical Property of 4-amino-N-butylbenzamide

Chemical Property:

• PSA: 55.12000
• LogP: 2.77080
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-N-butylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC(=O)C1=CC=C(C=C1)N

Technology Process of 4-amino-N-butylbenzamide

There total 10 articles about 4-amino-N-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: 96.0%

C11H14N4O (912838-25-6) → 4-amino-N-butylbenzamide (51207-84-2)

Guidance literature:

With formic acid; tris(2,2'-bipyridyl)ruthenium dichloride; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 25 ℃; for 2h; chemoselective reaction; Irradiation;

DOI:10.1038/nchem.932

Reference yield: 91.0%

N-butyl-4-nitrobenzamide (51207-98-8) → 4-amino-N-butylbenzamide (51207-84-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h; under 2250.23 Torr;

DOI:10.1002/jhet.3029

Reference yield: 84.0%

N-butylamine (109-73-9,85404-21-3) + p-aminoiodobenzene (540-37-4) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → 4-amino-N-butylbenzamide (51207-84-2)

Guidance literature:

With C₃₅H₂₀F₃₄NO₃^(1-)*Pd⁽²⁺⁾*Cl^(1-); N-ethyl-N,N-diisopropylamine; In water; at 110 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.tet.2014.09.065

upstream raw materials:

N-butyl-4-nitrobenzamide

4-nitro-benzoyl chloride

2-nitrobenzamide

C₁₁H₁₄N₄O

Downstream raw materials:

N-(4-(n-butylcarbamoyl)phenylcarbamoyl)-2,6-difluorobenzamide

N-Butyl-4-{4-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-5-oxo-2-phenyl-4,5-dihydro-imidazol-1-yl}-benzamide

N-Butyl-4-{5-oxo-2-phenyl-4-[1-phenyl-meth-(Z)-ylidene]-4,5-dihydro-imidazol-1-yl}-benzamide

Refernces

• 1、 Messa, Francesco,Perrone, Serena,Capua, Martina,Tolomeo, Francesco,Troisi, Luigino,Capriati, Vito,Salomone, Antonio. "Towards a sustainable synthesis of amides: chemoselective palladium-catalysed aminocarbonylation of aryl iodides in deep eutectic solvents". supporting information. p. 8100 - 8103. Retrieved 2018/07/29.
• 2、 Ang, Wei Jie,Lo, Lee-Chiang,Lam, Yulin. "Expedient carbonylation of aryl halides in aqueous or neat condition". . p. 8545 - 8558. Retrieved 2014/12/11.