Cyanic acid, 4-benzoylphenyl ester

Base Information

• Chemical Name: Cyanic acid, 4-benzoylphenyl ester
• CAS No.: 143814-18-0
• Molecular Formula: C14H9NO2
• Molecular Weight: 223.231
• DSSTox Substance ID: DTXSID20439272
• Nikkaji Number: J504.634C
• Wikidata: Q82255187
• Mol file: 143814-18-0.mol

Synonyms:Cyanic acid, 4-benzoylphenyl ester;143814-18-0;(4-benzoylphenyl) cyanate;4-Cyanato-benzophenone;SCHEMBL9818353;DTXSID20439272;Cyanic acid,4-benzoylphenyl ester

Chemical Property of Cyanic acid, 4-benzoylphenyl ester

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.063328530
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC#N

Technology Process of Cyanic acid, 4-benzoylphenyl ester

There total 1 articles about Cyanic acid, 4-benzoylphenyl 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: 85.0%

bromocyane (506-68-3) + 4-Hydroxybenzophenone (1137-42-4) → (4-cyanatophenyl)phenylmethanone (143814-18-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2018.04.032

Reference yield:

(4-cyanatophenyl)phenylmethanone (143814-18-0) + toluene (108-88-3,15644-74-3,16713-13-6) → 2-Methylbenzonitrile (529-19-1) + para-methylbenzonitrile (104-85-8) + 3-Methylbenzonitrile (620-22-4)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In carbon disulfide; at 0 - 5 ℃; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1080/00397919208019077

Reference yield:

C20H21NO2 + (4-cyanatophenyl)phenylmethanone (143814-18-0) → (S)-N-(4'-tert-butylphenyl)-2-cyano-1-oxo-2,3-dihydro-1H-indene-2-carboxamide + (R)-N-(4'-tert-butylphenyl)-2-cyano-1-oxo-2,3-dihydro-1H-indene-2-carboxamide

Guidance literature:

With Cinchonin; In dichloromethane; at 0 ℃; for 12h; Overall yield = 64 %; enantioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1016/j.tetlet.2018.04.032

upstream raw materials:

bromocyane

4-Hydroxybenzophenone

Downstream raw materials:

2-Methylbenzonitrile

para-methylbenzonitrile

3-Methylbenzonitrile

Refernces