Cyanic acid, 4-methylphenyl ester

Base Information

• Chemical Name: Cyanic acid, 4-methylphenyl ester
• CAS No.: 1124-58-9
• Molecular Formula: C8H7NO
• Molecular Weight: 133.15
• DSSTox Substance ID: DTXSID30484677
• Nikkaji Number: J3.033.589I
• Wikidata: Q82323213
• Mol file: 1124-58-9.mol

Synonyms:Cyanic acid, 4-methylphenyl ester;(4-methylphenyl) cyanate;1124-58-9;4-methyl-phenylcyanate;4-METHYLPHENYL CYANATE;SCHEMBL764016;DTXSID30484677

Chemical Property of Cyanic acid, 4-methylphenyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 133.052763847
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyanic acid, 4-methylphenyl ester

There total 4 articles about Cyanic acid, 4-methylphenyl 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: 87.0%

p-cresol (106-44-5) + bromocyane (506-68-3) → p-tolylcyanate (1124-58-9)

Guidance literature:

With triethylamine; In tetrachloromethane; water; Cooling;

DOI:10.15227/orgsyn.061.0035

Reference yield:

2-thioxo-benzooxazole-3-carboximidic acid p-tolyl ester (70989-48-9) → benzo[d]oxazole-2-(3H)-thione (2382-96-9) + p-tolylcyanate (1124-58-9)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

Reference yield:

p-Tolyl chlorothionoformate (937-63-3) → p-tolylcyanate (1124-58-9)

Guidance literature:

Multistep reaction; (i) aq. NaN₃, acetone, (ii) (thermolysis);

upstream raw materials:

2-thioxo-benzooxazole-3-carboximidic acid p-tolyl ester

p-Tolyl chlorothionoformate

p-cresol

bromocyane

Downstream raw materials:

2-(p-Tolyloxyiminocarbonyl)-cyclohexandion-(1.3)

Kohlensaeure-p-tolylester-imid-methylcyanamid

O-(4-methyl)phenyl thiocarbamate

N-Chlorcarbonyl-iminokohlensaeure-(4-methylphenylester)-chlorid

Refernces

• 1、 Tsuchiya, Kousuke,Endo, Takeshi. "Synthesis of methacrylate polymer bearing cyanate groups and its chemoselective reaction with amines". . p. 699 - 706. Retrieved 2014/02/14.
• 2、 Cheng, Ying,Zhu, Qing,Li, Quan Song,Meth-Cohn, Otto. "Interaction of aryloxychlorocarbenes with acetylenedicarboxylate: Novel formation of polyfunctional butadienes and 8-oxatricyclo[3.2.1.0 2.4]oct-6-enes". . p. 4840 - 4846. Retrieved 2007/10/03.