Ethyl (4-isocyanatophenyl)acetate

Base Information

• Chemical Name: Ethyl (4-isocyanatophenyl)acetate
• CAS No.: 827629-60-7
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.20994
• Hs Code.: 2929109000
• Mol file: 827629-60-7.mol

Synonyms:Ethyl (4-isocyanatophenyl)acetate;ethyl (4-isocyanatophenyl)acetate(SALTDATA: FREE)

Chemical Property of Ethyl (4-isocyanatophenyl)acetate

Chemical Property:

• PSA: 55.73000
• LogP: 1.75950

Purity/Quality:

97% ^*data from raw suppliers

Ethyl(4-Isocyanatophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl (4-isocyanatophenyl)acetate

There total 2 articles about Ethyl (4-isocyanatophenyl)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: 98.0%

phosgene (75-44-5) + C13H21O2NSi → ethyl 2-(4-isocyanatophenyl)acetate (827629-60-7)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.1134/S1070363206070115

Reference yield:

ethyl (4-amino-3,5-dibromophenyl)acetate (5438-70-0) → ethyl 2-(4-isocyanatophenyl)acetate (827629-60-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / sulfuric acid / 0.5 h / Heating

2: 98 percent / toluene / 0 °C

With sulfuric acid; In toluene;

DOI:10.1134/S1070363206070115

Reference yield: 87.0%

ethyl 2-(4-isocyanatophenyl)acetate (827629-60-7) + 2-furan-2-yl-8-octyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine (827629-34-5) → {4-[3-(2-furan-2-yl-8-octyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-phenyl}-acetic acid ethyl ester

Guidance literature:

In 1,4-dioxane; for 18h; Heating;

DOI:10.1021/jm049662f

upstream raw materials:

phosgene

ethyl (4-amino-3,5-dibromophenyl)acetate

Downstream raw materials:

ethyl 3,4-dihydro-7-(4-{[4-(ethoxycarbonylmethyl)phenylaminocarbonyloxy]methyl}imidazol-1-yl)-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylate

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