3-(ETHOXYCARBONYL)PHENYL ISOCYANATE

Base Information

• Chemical Name: 3-(ETHOXYCARBONYL)PHENYL ISOCYANATE
• CAS No.: 67531-68-4
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.186
• Hs Code.: 2929109000
• Mol file: 67531-68-4.mol

Synonyms:3-(Ethoxycarbonyl)phenylisocyanate;3-Carboethoxyphenyl isocyanate;3-Isocyanatobenzoic acid ethylester;Ethyl 3-isocyanatobenzoate;Ethyl m-isocyanatobenzoate;

Chemical Property of 3-(ETHOXYCARBONYL)PHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 0.00257mmHg at 25°C
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 286.9 °C at 760 mmHg
• Flash Point: 131.2 °C
• PSA: 55.73000
• Density: 1.12 g/cm³
• LogP: 1.83060
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-isocyanatobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-27-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 3-Isocyanatobenzoate is used in preparation of substituted ureas as GRB2 stabilizers for RAS MAP kinase inhibition.

Technology Process of 3-(ETHOXYCARBONYL)PHENYL ISOCYANATE

There total 2 articles about 3-(ETHOXYCARBONYL)PHENYL 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: 95.0%

phosgene (75-44-5) + ethyl 3-((trimethylsilyl)amino)benzoate → ethyl 3-isocyanatobenzoate (67531-68-4)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.1134/S1070363206070115

Reference yield:

3-aminobenzoic acid ethyl ester (582-33-2) → ethyl 3-isocyanatobenzoate (67531-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / sulfuric acid / 0.5 h / Heating

2: 95 percent / toluene / 0 °C

With sulfuric acid; In toluene;

DOI:10.1134/S1070363206070115

Reference yield: 99.0%

4-(2-chloro-phenoxy)-piperidine hydrochloride (849107-20-6) + ethyl 3-isocyanatobenzoate (67531-68-4) → C21H23ClN2O4 (1105686-09-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1016/j.bmcl.2008.06.088

upstream raw materials:

phosgene

3-aminobenzoic acid ethyl ester

Downstream raw materials:

3-{3-[1-(Isopropyl-phenyl-carbamoylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-3-yl]-ureido}benzoic acid ethyl ester

Refernces