ETHYL 2-ISOCYANATOBENZOATE

Base Information

• Chemical Name: ETHYL 2-ISOCYANATOBENZOATE
• CAS No.: 76393-16-3
• Molecular Formula: C10H9 N O3
• Molecular Weight: 191.186
• Hs Code.: 2929100090
• Mol file: 76393-16-3.mol

Synonyms:2-(Ethoxycarbonyl)phenylisocyanate; 2-Isocyanatobenzoic acid ethyl ester; Ethyl 2-isocyanatobenzoate

Chemical Property of ETHYL 2-ISOCYANATOBENZOATE

Chemical Property:

• Vapor Pressure: 0.00326mmHg at 25°C
• Melting Point: 26-27°C
• Refractive Index: 1.524
• Boiling Point: 282.9°C at 760 mmHg
• Flash Point: >110°C
• PSA: 55.73000
• Density: 1.12g/cm³
• LogP: 1.83060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-isocyanatobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/22:Harmful by inhalation and if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; R42:Ma
• Hazard Codes: Xn
• Statements: 20/22-36/37/38-42-22
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 2-ISOCYANATOBENZOATE

There total 4 articles about ETHYL 2-ISOCYANATOBENZOATE 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: 95.0%

phosgene (75-44-5) + ethyl N-(trimethylsilyl)anthranilate (130399-61-0) → 2-(ethoxycarbonyl)phenyl isocyanate (76393-16-3)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.1134/S1070363206070115

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + (3aR,9bR)-2-aminoethyl-6-methoxy-2,3,3a,4,5,9b-[1H]-hexahydrobenz[e]isoindole (179240-09-6) + 2-ethoxycarbonylaniline (87-25-2) → 2-(ethoxycarbonyl)phenyl isocyanate (76393-16-3)

Guidance literature:

In toluene;

Reference yield:

phosgene (75-44-5) + 2-ethoxycarbonylaniline (87-25-2) → 2-(ethoxycarbonyl)phenyl isocyanate (76393-16-3)

Guidance literature:

In dichloromethane; toluene; at 0 ℃; for 0.166667h;

DOI:10.1021/jm00169a018

upstream raw materials:

phosgene

2-ethoxycarbonylaniline

ethyl N-(trimethylsilyl)anthranilate

bis(trichloromethyl) carbonate

Downstream raw materials:

2-(3-Pyridin-4-yl-ureido)-benzoic acid ethyl ester

2-[3-((1R,3R,5S)-8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-ureido]-benzoic acid ethyl ester

ethyl 2-(formylamino) benzoate

N-methyl-o-aminobenzyl alcohol

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