3-Ethenylbenzamide

Base Information

• Chemical Name: 3-Ethenylbenzamide
• CAS No.: 16260-62-1
• Molecular Formula: C9H9 N O
• Molecular Weight: 147.177
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20501867
• Nikkaji Number: J798.730G
• Mol file: 16260-62-1.mol

Synonyms:3-Ethenylbenzamide;3-Vinylbenzamide;16260-62-1;Benzamide, 3-ethenyl-;Benzamide, 3-ethenyl- (9CI);SCHEMBL2987177;DTXSID20501867;XCWZMZNDYXEKIX-UHFFFAOYSA-N;AKOS006339646;A1-32399

Chemical Property of 3-Ethenylbenzamide

Chemical Property:

• Boiling Point: 281.7±19.0 °C(Predicted)
• PKA: 15.90±0.50(Predicted)
• PSA: 44.08000
• Density: 1.097±0.06 g/cm3(Predicted)
• LogP: 2.31270
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CC(=CC=C1)C(=O)N

Technology Process of 3-Ethenylbenzamide

There total 2 articles about 3-Ethenylbenzamide 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:

3-vinylbenzoyl chloride (20161-52-8) → 3-vinylbenzamide (16260-62-1)

Guidance literature:

With ammonia;

Reference yield:

→ 3-vinylbenzamide (16260-62-1)

Guidance literature:

m-Vinylbenzoylchlorid, NH3 (ohne Detaile, anal. wie bei o- u. p-Isomere; mehrere Zitt.);

Reference yield: 67.0%

1',2',3',4',5',6'-hexahydro-2'H-[2,4'-bipyridine] N-oxide hydrochloride + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-vinylbenzamide (16260-62-1) → 2-(1-{[(3-vinylbenzoyl)amino]methyl}piperidin-4-yl)pyridinium N-oxide

Guidance literature:

1',2',3',4',5',6'-hexahydro-2'H-[2,4'-bipyridine] N-oxide hydrochloride; With potassium carbonate; In 1,4-dioxane; toluene; at 20 ℃; for 0.5h;

formaldehyd; 3-vinylbenzamide; In 1,4-dioxane; toluene; at 80 ℃; for 4h;

DOI:10.1021/jm060662k

upstream raw materials:

3-vinylbenzoyl chloride

Downstream raw materials:

3-{2-[3-benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-vinyl}-benzamide

Refernces