4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

Base Information

Chemical Name:4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate
CAS No.:627531-79-7
Molecular Formula:C₁₀H₅F₃N₂O
Molecular Weight:226.158
Hs Code.:

Synonyms:4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

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Chemical Property of 4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

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Technology Process of 4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

There total 7 articles about 4-cyano-2-methyl-3-trifluoromethylphenyl 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: 100.0%

: 573764-86-0
4-amino-3-methyl-2-trifluoromethylbenzonitrile

: 32315-10-9
bis(trichloromethyl) carbonate

: 627531-79-7
4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

Guidance literature:: In 1,4-dioxane; toluene; at 20 ℃; for 2.25h; Inert atmosphere; Reflux;
DOI:10.1021/jm300249m

Reference yield:

: N-[4-bromo-2-methyl-3-(trifluoromethyl)phenyl]acetamide

: 627531-79-7
4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: Pd(dba)2 / dimethylformamide

2: aq. HCl / ethanol

3: NaHCO₃ / CH₂Cl₂

With hydrogenchloride; sodium hydrogencarbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2007.01.076

Reference yield:

: 54396-44-0
2-methyl-3-trifluoromethylaniline

: 627531-79-7
4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate

Guidance literature:: Multi-step reaction with 5 steps

1: AcOH; NaOH

2: Br₂

3: Pd(dba)2 / dimethylformamide

4: aq. HCl / ethanol

5: NaHCO₃ / CH₂Cl₂

With hydrogenchloride; sodium hydroxide; bromine; sodium hydrogencarbonate; acetic acid; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2007.01.076