2-Isocyanatoanthracene

Base Information

• Chemical Name: 2-Isocyanatoanthracene
• CAS No.: 17017-03-7
• Molecular Formula: C₁₅H₉NO
• Molecular Weight: 219.243
• DSSTox Substance ID: DTXSID20168813
• Nikkaji Number: J492.522J
• Mol file: 17017-03-7.mol

Synonyms:2-Isocyanatoanthracene;2-Anthryl isocayanate;Isocyanic acid, 2-anthryl ester;Anthracene, 2-isocyanato-;17017-03-7;2-Anthracenyl isocyanate;C15H9NO;SCHEMBL3714131;DTXSID20168813

Chemical Property of 2-Isocyanatoanthracene

Chemical Property:

• Vapor Pressure: 3.64E-06mmHg at 25°C
• Boiling Point: 386.1°Cat760mmHg
• Flash Point: 143.9°C
• Density: 1.15g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.068413911
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N=C=O

Technology Process of 2-Isocyanatoanthracene

There total 3 articles about 2-Isocyanatoanthracene 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-anthroic acid (613-08-1) → 2-anthraceneisocyanate (17017-03-7)

Guidance literature:

With diphenylphosphoranyl azide; triethylamine; In toluene; at 80 ℃; for 2h;

DOI:10.1021/jm030428j

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 2-aminoanthracene (613-13-8) → 2-anthraceneisocyanate (17017-03-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 25h; Cooling with ice;

DOI:10.1021/ma2008018

Reference yield:

phosgene (75-44-5) + 2-aminoanthracene (613-13-8) → 2-anthraceneisocyanate (17017-03-7)

Guidance literature:

With toluene; benzene;

DOI:10.1021/ja01267a082

upstream raw materials:

phosgene

2-aminoanthracene

2-anthroic acid

bis(trichloromethyl) carbonate

Downstream raw materials:

Anthracen-2-yl-carbamic acid 3,4,5-trimethoxy-2-nitro-benzyl ester

[Anthracen-2-yl-(2-nitro-benzyloxycarbonyl)-amino]-acetic acid tert-butyl ester

[Anthracen-2-yl-(2-nitro-benzyloxycarbonyl)-amino]-acetic acid

Refernces

• 1、 Li, Zhao,Zheng, Zhen,Su, Shan,Yu, Lin,Wang, Xinling. "Preparation of a High-Strength Hydrogel with Slidable and Tunable Potential Functionalization Sites". . p. 373 - 386. Retrieved 2016.
• 2、 Biedermann, Frank,Appel, Eric A.,Del Barrio, Jesus,Gruendling, Till,Barner-Kowollik, Christopher,Scherman, Oren A.. "Postpolymerization modification of hydroxyl-functionalized polymers with isocyanates". experimental part. p. 4828 - 4835. Retrieved 2012/05/20.