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:

N-(n-butyl)benzamidine

N-butyl-benzimidoyl chloride

N-Butyl-N-trimethylsilylbenzamid

N-Butyl-benzimidoyl bromide

Refernces

Mild rhodium(III)-catalyzed cyclization of amides with α,β- unsaturated aldehydes and ketones to azepinones: Application to the synthesis of the homoprotoberberine framework

10.1002/anie.201301426

The key substrate used in this study, N-methoxybenzamide (1a), is an amide with a methoxy group attached to the nitrogen atom. It is key for the initial reaction with a,b-unsaturated aldehydes and ketones. Another amide substrate used in this study, N-methylbenzamide (1b), has a methyl group attached to the nitrogen atom, which affects the reactivity and selectivity of the C-H activation process. N-n-butylbenzamide (1c), an amide with a butyl group attached to the nitrogen atom, demonstrates the versatility of the method towards different alkyl groups. N-benzylbenzamide (1d), an amide with a benzyl group attached to the nitrogen atom, is used to demonstrate the tolerance of the reaction towards aromatic groups. Acrolein (2a), the simplest unsaturated aldehyde used in this study, acts as the electrophilic component in the cyclization process and reacts with the amide to generate the desired azacyclopentane product.

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