3-ACETYLPHENYL ISOCYANATE

Base Information

• Chemical Name: 3-ACETYLPHENYL ISOCYANATE
• CAS No.: 23138-64-9
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 29291000
• Mol file: 23138-64-9.mol

Synonyms:Isocyanicacid, m-acetylphenyl ester (8CI);1-(3-Isocyanatophenyl)ethanone;3-Acetylphenyl isocyanate;NSC 223087;m-Acetylphenyl isocyanate;

Chemical Property of 3-ACETYLPHENYL ISOCYANATE

Chemical Property:

• Appearance/Colour: clear yellow to light brown liquid after melting
• Vapor Pressure: 0.00658mmHg at 25°C
• Melting Point: 33-34 °C
• Refractive Index: n20/D 1.563(lit.)
• Boiling Point: 271.1 °C at 760 mmHg
• Flash Point: 108.8 °C
• PSA: 46.50000
• Density: 1.09 g/cm³
• LogP: 1.85650
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

3-AcetylphenylIsocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 7-26-27-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3-ACETYLPHENYL ISOCYANATE

There total 3 articles about 3-ACETYLPHENYL ISOCYANATE 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:

1-(3-aminophenyl)ethanone (99-03-6) + trichloromethyl chloroformate (503-38-8) → 3-acetylphenyl isocyanate (23138-64-9)

Guidance literature:

pyrographite; In ethyl acetate; Heating;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 1-(3-aminophenyl)ethanone (99-03-6) → 3-acetylphenyl isocyanate (23138-64-9)

Guidance literature:

With triethylamine; In 1,2-dichloro-ethane; at 0 - 85 ℃; for 8.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112100

Reference yield:

→ 3-acetylphenyl isocyanate (23138-64-9)

Guidance literature:

upstream raw materials:

1-(3-aminophenyl)ethanone

trichloromethyl chloroformate

bis(trichloromethyl) carbonate

Downstream raw materials:

(S)-3-{(S)-6-[3-(3-Acetyl-phenyl)-ureido]-2-[(S)-2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid

3-(3-Acetyl-phenyl)-1,1-dibutyl-urea

3-(3-Acetyl-phenyl)-1,1-dibenzyl-urea

N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-9-methyl-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-acetylphenyl)urea

Refernces

• 1、 Cai, Yunrui,Chen, Tong,Zhu, Huajian,Zou, Hongbin. "Design, synthesis and antitumor assessment of phenylureas bearing 5-fluoroindolin-2-one moiety". . p. 958 - 968. Retrieved 2020/08/19.