4-TRIFLUOROMETHYLBENZYLISOCYANATE

Base Information

• Chemical Name: 4-TRIFLUOROMETHYLBENZYLISOCYANATE
• CAS No.: 102422-55-9
• Molecular Formula: C9H6F3NO
• Molecular Weight: 201.148
• Hs Code.: 2929109000
• Mol file: 102422-55-9.mol

Synonyms:1-(Isocyanatomethyl)-4-(trifluoromethyl)benzene;[4-(Trifluoromethyl)benzyl] isocyanate;3-(Trifluoromethyl)benzylhydrazide;

Chemical Property of 4-TRIFLUOROMETHYLBENZYLISOCYANATE

Chemical Property:

• Vapor Pressure: 0.18mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 211.707 °C at 760 mmHg
• Flash Point: 88.552 °C
• PSA: 29.43000
• Density: 1.219 g/cm³
• LogP: 2.54120

Purity/Quality:

98%min ^*data from raw suppliers

4-(Trifluoromethyl)benzylIsocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: foaming agent

Technology Process of 4-TRIFLUOROMETHYLBENZYLISOCYANATE

There total 8 articles about 4-TRIFLUOROMETHYLBENZYLISOCYANATE 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%

C9H6F3N3O (848678-58-0) → 1-(isocyanatomethyl)-4-(trifluoromethyl)benzene (102422-55-9)

Guidance literature:

In dichloromethane; Product distribution / selectivity; Heating / reflux;

Reference yield: 36.0%

bis(trichloromethyl) carbonate (32315-10-9) + p-Trifluoromethylbenzylamine (3300-51-4) → 1-(isocyanatomethyl)-4-(trifluoromethyl)benzene (102422-55-9)

Guidance literature:

In ethyl acetate; at 0 - 80 ℃; for 4h;

Reference yield:

p-Trifluoromethylbenzylamine (3300-51-4) + trichloromethyl chloroformate (503-38-8) → 1-(isocyanatomethyl)-4-(trifluoromethyl)benzene (102422-55-9)

Guidance literature:

In 1,4-dioxane; Heating;

DOI:10.1021/jm00157a034

upstream raw materials:

p-Trifluoromethylbenzylamine

trichloromethyl chloroformate

4-CF₃C₆H₄CN

4-Trifluoromethylphenylacetic acid

Downstream raw materials:

N-(2-oxo-2,3-dihydro-1H-indol-4-yl)-N'-[4-(trifluoromethyl)benzyl]urea

1-(4-(trifluoromethyl)benzyl)-3-(2,3-dihydro-2-oxo-1H-benzo[d]imidazol-4-yl)urea

1-(4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea

1-(4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-5-yl)urea

Refernces

• 1、 -. ""TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION"". Page/Page column 26. . Retrieved 2011/10/13.
• 2、 -. "HETEROAROMATIC UREAS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1)". Page/Page column 26; 42-43. . Retrieved 2010/02/11.