2,6-Dimethylphenyl cyanate

Base Information

• Chemical Name: 2,6-Dimethylphenyl cyanate
• CAS No.: 1125-43-5
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• DSSTox Substance ID: DTXSID60498828
• Nikkaji Number: J3.033.590B
• Wikidata: Q82349132

Synonyms:2,6-dimethylphenyl cyanate;1125-43-5;(2,6-dimethylphenyl) cyanate;Cyanic acid, 2,6-dimethylphenyl ester;SCHEMBL3703224;DTXSID60498828

Chemical Property of 2,6-Dimethylphenyl cyanate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dimethylphenyl cyanate

There total 1 articles about 2,6-Dimethylphenyl cyanate 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:

→ 2,6-dimethylphenyl cyanate (1125-43-5)

Guidance literature:

2,6-Dimethylphenol, BrCN;

Reference yield: 95.0%

2,6-dimethylphenyl cyanate (1125-43-5) + 2,4-Diphenyl-5-[(E)-phenylimino]-[1,2,4]thiadiazolidin-3-one (77303-41-4) → [3-(2,6-Dimethyl-phenoxy)-4-phenyl-4H-[1,2,4]thiadiazol-(5E)-ylidene]-phenyl-amine (139119-36-1)

Guidance literature:

In toluene; for 48h; Ambient temperature;

Reference yield: 92.0%

2,6-dimethylphenyl cyanate (1125-43-5) → C9H10N4O

Guidance literature:

With sodium azide; at 20 ℃; for 18h; Milling; Green chemistry;

DOI:10.4067/S0717-97072013000200009

Downstream raw materials:

N,N-Diethyl-O-(2,6-dimethyl-phenyl)-isoharnstoff

2-Thioxo-benzooxazole-3-carboximidic acid 2,6-dimethyl-phenyl ester

[3-(2,6-Dimethyl-phenoxy)-4-phenyl-4H-[1,2,4]thiadiazol-(5E)-ylidene]-phenyl-amine

5-(2,6-dimethylphenoxy)-(1H)-tetrazole

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