N-Butylbenzamide

Base Information

• Chemical Name: N-Butylbenzamide
• CAS No.: 2782-40-3
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.246
• Hs Code.: 2924299090
• European Community (EC) Number: 220-485-4
• NSC Number: 26916
• DSSTox Substance ID: DTXSID70182140
• Nikkaji Number: J54.485J
• Wikidata: Q83052799
• ChEMBL ID: CHEMBL444703
• Mol file: 2782-40-3.mol

Synonyms:N-Butylbenzamide;2782-40-3;Benzamide, N-butyl-;Butylbenzamide;N-n-Butylbenzamide;EINECS 220-485-4;NSC 26916;BRN 2045962;AI3-00818;3-09-00-01071 (Beilstein Handbook Reference);N-butyl-benzamide;NSC26916;WLN: 4MVR;CHEMBL444703;SCHEMBL1002854;DTXSID70182140;CAA78240;MFCD00956665;NSC-26916;AKOS003511099;LS-25984;CS-0328154;I11490;EN300-6718699;SR-03000003261;SR-03000003261-1;2-AMINO-4-PHENYLTHIAZOLEHYDROBROMIDEMONOHYDRATE;Z31763402

Chemical Property of N-Butylbenzamide

Chemical Property:

• Vapor Pressure: 8.62E-05mmHg at 25°C
• Boiling Point: 340.4°Cat760mmHg
• Flash Point: 201.6°C
• PSA: 29.10000
• Density: 0.988g/cm³
• LogP: 2.60740
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

N-Butylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Butylbenzamide

There total 202 articles about 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: 99.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + N-butylamine (109-73-9,85404-21-3) → N-butylbenzamide (2782-40-3)

Guidance literature:

N-butylamine; With bis(trimethylaluminum)–1,4-diazabicyclo[2.2.2]octane adduct; In tetrahydrofuran; at 40 ℃; for 1h;

benzoic acid methyl ester; In tetrahydrofuran; for 18h; Heating;

DOI:10.1016/j.tetlet.2006.06.004

Reference yield: 99.0%

N-butylamine (109-73-9,85404-21-3) + benzoic acid (65-85-0,8013-63-6) → N-butylbenzamide (2782-40-3)

Guidance literature:

With montmorillonite KSF; at 20 - 250 ℃; Microwave irradiation;

DOI:10.2174/1570178611310020011

Reference yield: 99.0%

N-butylamine (109-73-9,85404-21-3) + benzyl alcohol (100-51-6,185532-71-2) → N-butylbenzamide (2782-40-3)

Guidance literature:

With tert.-butylhydroperoxide; iron(III) chloride hexahydrate; tetra-(n-butyl)ammonium iodide; In water; at 60 ℃; for 24h; Molecular sieve; Sealed tube; Green chemistry;

DOI:10.1039/c5gc00299k

upstream raw materials:

N-n-propyl-N-n-butylbenzamide

benzoyl chloride

N-butylamine

piperidin-1-yl benzoate

Downstream raw materials:

1-bromo-butane

2,4,6-triphenyl-1,3,5-triazine

benzonitrile

N-butylphthalimide

Refernces

• 1、 Ebrahimi, Edris,Khalafi-Nezhad, Ali,Khalili, Dariush,Rousta, Marzieh. "CuO-decorated magnetite-reduced graphene oxide: a robust and promising heterogeneous catalyst for the oxidative amidation of methylarenes in waterviabenzylic sp3C-H activation". . p. 20007 - 20020. Retrieved 2021/11/12.
• 2、 Boughaba, Sara,Aouf, Zineb,Zerrouki, Rachida,Aouf, Nour Eddine. "N,O-Benzyl Protection of Structurally Varied Amines and Phenols Using Wells-Dawson Heteropolyacid Catalyst". . p. 301 - 310. Retrieved 2021/05/24.