N-Ethenylbenzamide

Base Information

• Chemical Name: N-Ethenylbenzamide
• CAS No.: 13313-25-2
• Molecular Formula: C9H9 N O
• Molecular Weight: 147.177
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10498353
• Nikkaji Number: J801.188E
• Mol file: 13313-25-2.mol

Synonyms:N-Ethenylbenzamide;13313-25-2;Benzamide, N-ethenyl- (9CI);N-Vinylbenzamide;SCHEMBL497521;DTXSID10498353;AKOS006350095

Chemical Property of N-Ethenylbenzamide

Chemical Property:

• Melting Point: 104 °C(Solv: benzene (71-43-2))
• Boiling Point: 308.5±15.0 °C(Predicted)
• PKA: 13.22±0.46(Predicted)
• PSA: 32.59000
• Density: 1.040±0.06 g/cm3(Predicted)
• LogP: 2.13470
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Ethenylbenzamide

There total 15 articles about N-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: 95.0%

2-phenyl-1,3-oxazoline (7127-19-7) → N-benzoylethyleneimine (13313-25-2)

Guidance literature:

2-phenyl-1,3-oxazoline; With lithium diisopropyl amide; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

With water; In tetrahydrofuran; at 20 ℃; Temperature; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.03.080

Reference yield: 95.0%

2-phenyl-4-methyl-4H-oxazolin-5-one (51127-13-0,71963-72-9,87480-74-8,13302-43-7) → N-benzoylethyleneimine (13313-25-2)

Guidance literature:

at 550 ℃; under 0.1 - 0.2 Torr;

Reference yield: 81.0%

n-vinylformamide (13162-05-5,72018-12-3) + benzoyl chloride (98-88-4) → N-benzoylethyleneimine (13313-25-2)

Guidance literature:

n-vinylformamide; benzoyl chloride; With dmap; triethylamine; In tetrahydrofuran; Inert atmosphere;

With water; sodium hydroxide; In tetrahydrofuran; Inert atmosphere;

DOI:10.1021/acs.oprd.5b00303

upstream raw materials:

isocyanatoethene

N-benzoyl-α-aminopropionitrile

Ethylen-bis-benzamid

2-phenyl-4-methyl-4H-oxazolin-5-one

Downstream raw materials:

N-(1-ethoxyethyl)benzamide

1-(Dimethylstibyl)-2-benzoylaminoethan