N-(4-hydroxybutyl)benzamide

Base Information

• Chemical Name: N-(4-hydroxybutyl)benzamide
• CAS No.: 102877-79-2
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID30459047
• Nikkaji Number: J1.672.433E
• Wikidata: Q82282653
• Mol file: 102877-79-2.mol

Synonyms:N-(4-hydroxybutyl)benzamide;102877-79-2;Benzamide, N-(4-hydroxybutyl)-;N-(4-hydroxy-butyl)-benzamide;SCHEMBL1039449;DTXSID30459047;BXWSEVKWUMTFDZ-UHFFFAOYSA-N;AKOS006315227;A1-04949

Chemical Property of N-(4-hydroxybutyl)benzamide

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-(4-hydroxybutyl)benzamide

There total 13 articles about N-(4-hydroxybutyl)benzamide 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%

4-Aminobutanol (13325-10-5) + benzoic acid (65-85-0,8013-63-6) → N-(4-hydroxybutyl)benzamide (102877-79-2)

Guidance literature:

benzoic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere;

4-Aminobutanol; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/jm501119j

Reference yield: 97.0%

4-Aminobutanol (13325-10-5) + 9-benzoyl-9H-carbazole (19264-68-7) → N-(4-hydroxybutyl)benzamide (102877-79-2)

Guidance literature:

In tetrahydrofuran; at 30 ℃; for 24h; chemoselective reaction;

DOI:10.1246/bcsj.20200116

Reference yield: 86.0%

4-Aminobutanol (13325-10-5) + benzoyl chloride (98-88-4) → N-(4-hydroxybutyl)benzamide (102877-79-2)

Guidance literature:

With sodium hydroxide; In chloroform; water; for 0.75h; Cooling with ice;

DOI:10.1021/acs.orglett.6b03122

upstream raw materials:

4-benzoylamino-butyric acid hydrazide

4-Aminobutylbenzoat

n-benzoylpyrrolidine

4-Aminobutanol

Downstream raw materials:

N-[4-(tert-Butyl-dimethyl-silanyloxy)-butyl]-benzamide

4-benzamidobutyl iodide

4-(benzoylamino)butanal

2-phenyl-4,5,6,7-tetrahydro-1,3-oxazepine