Benzeneethanimidic acid, N-phenyl-, methyl ester

Base Information

• Chemical Name: Benzeneethanimidic acid, N-phenyl-, methyl ester
• CAS No.: 19813-45-7
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• DSSTox Substance ID: DTXSID60455451
• Mol file: 19813-45-7.mol

Synonyms:Benzeneethanimidic acid, N-phenyl-, methyl ester;19813-45-7;DTXSID60455451

Chemical Property of Benzeneethanimidic acid, N-phenyl-, methyl ester

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=NC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of Benzeneethanimidic acid, N-phenyl-, methyl ester

There total 3 articles about Benzeneethanimidic acid, N-phenyl-, methyl ester 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: 68.0%

Phenylthioessigsaeure-O-methylester (5873-85-8) + Phenyl azide (622-37-7) → methyl N-(phenyl)phenylacetimidate (19813-45-7)

Guidance literature:

at 110 ℃;

Reference yield: 32.9%

methanol (67-56-1) + 1-{4-Phenyl-5-[1-phenyl-meth-(E)-ylidene]-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-ethanone (147878-13-5) → methyl N-(phenyl)phenylacetimidate (19813-45-7)

Guidance literature:

With sodium methylate; for 8h; Heating;

DOI:10.1002/ejoc.200300048

Reference yield:

→ methyl N-(phenyl)phenylacetimidate (19813-45-7)

Guidance literature:

Verb.8c, MeOH;

DOI:10.1139/v71-295

upstream raw materials:

Phenylthioessigsaeure-O-methylester

Phenyl azide

methanol

1-{4-Phenyl-5-[1-phenyl-meth-(E)-ylidene]-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-ethanone

Downstream raw materials:

2,N-diphenylacetamide