2-Cyanophenyl acetate

Base Information

• Chemical Name: 2-Cyanophenyl acetate
• CAS No.: 5715-02-6
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 29269090
• European Community (EC) Number: 227-210-7
• UNII: J24J523HA9
• DSSTox Substance ID: DTXSID40205779
• Nikkaji Number: J207.974G
• Wikidata: Q83079441
• Mol file: 5715-02-6.mol

Synonyms:2-Acetoxybenzonitrile;2-Cyanophenyl acetate;5715-02-6;(2-cyanophenyl) acetate;o-acetoxybenzonitrile;Benzonitrile, 2-(acetyloxy)-;Acetylsalicylonitrile;Salicylonitrile, acetate;2-Cyanophenyl acetate #;2-(Acetyloxy)benzonitrile;SCHEMBL5473941;Acetic Acid 2-Cyanophenyl Ester;DTXSID40205779;J24J523HA9;EINECS 227-210-7;MFCD00017360;AS-44267;A1118;CS-0155011;FT-0635816

Chemical Property of 2-Cyanophenyl acetate

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.00234mmHg at 25°C
• Melting Point: 252-254 °C
• Refractive Index: 1.535
• Boiling Point: 288.4 °C at 760 mmHg
• Flash Point: 132 °C
• PSA: 50.09000
• Density: 1.18g/cm³
• LogP: 1.48358
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 216

Purity/Quality:

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

2-Acetoxybenzonitrile >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C#N

Technology Process of 2-Cyanophenyl acetate

There total 12 articles about 2-Cyanophenyl acetate 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: 90.0%

C12H15NO3 → 2-acetoxybenzonitrile (5715-02-6)

Guidance literature:

With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 - 30 ℃; for 3h; chemoselective reaction;

DOI:10.1016/j.tet.2015.03.094

Reference yield: 56.0%

diethyl Fumarate (623-91-6) + 5-(o-acetoxyphenyl)-1,3,4-oxathiazol-2-one (52059-60-6) → 2-acetoxybenzonitrile (5715-02-6) + diethyl 3-(o-acetoxyphenyl)-4,5-dihydroisothiazole-4,5-dicarboxylate (118134-18-2)

Guidance literature:

In xylene; for 18h; Heating;

Reference yield:

salicylonitrile (611-20-1) + acetyl chloride (75-36-5) → 2-acetoxybenzonitrile (5715-02-6)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 2h;

upstream raw materials:

O-acetylsalicylamide

(E)-2-hydroxylbenzaldehyde oxime

acetic anhydride

acetyl chloride

Downstream raw materials:

3-hydroxyxanthen-9-one

2,6,2'-trihydroxy-benzophenone

3,4-dihydroxy-9H-xanthen-9-one

2,3,4,2'-tetrahydroxy-benzophenone

Refernces

• 1、 -. "Method for improving conversion rate of azoxystrobin". Paragraph 0066-0069. . Retrieved 2021/03/31.
• 2、 -. "TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF". Paragraph 0913. . Retrieved 2015/11/24.