N-(2-oxotetrahydrothiophen-3-yl)benzamide

Base Information

• Chemical Name: N-(2-oxotetrahydrothiophen-3-yl)benzamide
• CAS No.: 5351-34-8
• Molecular Formula: C11H11NO2S
• Molecular Weight: 221.2755
• DSSTox Substance ID: DTXSID10968248
• ChEMBL ID: CHEMBL1607841
• Mol file: 5351-34-8.mol

Synonyms:N-(2-oxotetrahydrothiophen-3-yl)benzamide;39837-09-7;N-(2-oxothiolan-3-yl)benzamide;benzamide, N-(tetrahydro-2-oxo-3-thienyl)-;N-(2-Oxo-tetrahydro-thiophen-3-yl)-benzamide;5351-34-8;N-(2-oxotetrahydro-3-thienyl)benzamide;SMR000122658;Oprea1_008693;Oprea1_310623;MLS000523585;IFLab1_005933;SCHEMBL3462955;CHEMBL1607841;DTXSID10968248;GHUVBMYECVDQDY-UHFFFAOYSA-N;HMS1428N15;HMS2353K14;STK053129;AKOS000485678;AKOS016161202;IDI1_011336;N-(2-Oxothiolan-3-yl)benzenecarboximidic acid;AB00082262-01;AK-968/11165182;SR-01000406848;SR-01000406848-1;Z56968177;F1443-5084

Chemical Property of N-(2-oxotetrahydrothiophen-3-yl)benzamide

Chemical Property:

• Vapor Pressure: 4.62E-10mmHg at 25°C
• Boiling Point: 498.2°Cat760mmHg
• Flash Point: 255.1°C
• Density: 1.3g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.05104977
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CSC(=O)C1NC(=O)C2=CC=CC=C2

Technology Process of N-(2-oxotetrahydrothiophen-3-yl)benzamide

There total 55 articles about N-(2-oxotetrahydrothiophen-3-yl)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: 97.0%

benzil (134-81-6) → benzilmonoxime (574-15-2,574-16-3,14090-77-8,5351-34-8)

Guidance literature:

With hydroxylamine hydrochloride; silica gel; at 20 ℃; for 6h; regioselective reaction; Green chemistry;

Reference yield: 96.0%

benzil (134-81-6) → (E)-benzil monooxime (574-15-2,5351-34-8)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; at 50 - 60 ℃; for 1.5h;

DOI:10.1002/jccs.201200011

Reference yield: 96.0%

phenyl benzyl ketone (451-40-1) → benzilmonoxime (574-15-2,574-16-3,14090-77-8,5351-34-8)

Guidance literature:

With hydrogenchloride; tert-Butyl thionitrate; In tetrahydrofuran; at 0 ℃; for 0.4h;

DOI:10.1016/S0040-4039(00)99137-8

upstream raw materials:

phenyl benzyl ketone

benzene

2-nitroacetophenone

benzil

Downstream raw materials:

benzil-mono-(O-acetyl-seqtrans-oxime )

benzil dioxime

N-(chlorophenylmethylene)benzamide

benzil-mono-(O-benzoyl oxime )