4-Methoxy-3-trifluoromethylphenyl isocyanate

Base Information

• Chemical Name: 4-Methoxy-3-trifluoromethylphenyl isocyanate
• CAS No.: 16588-76-4
• Molecular Formula: C₉H₆F₃NO₂
• Molecular Weight: 217.147
• DSSTox Substance ID: DTXSID201218832
• Mol file: 16588-76-4.mol

Synonyms:4-methoxy-3-trifluoromethylphenyl isocyanate;16588-76-4;4-isocyanato-1-methoxy-2-(trifluoromethyl)benzene;SCHEMBL1091015;DTXSID201218832;4-Methoxy-3-(trifluoromethyl)phenylisocyanate;EN300-1938033;Benzene, 4-isocyanato-1-methoxy-2-(trifluoromethyl)-

Chemical Property of 4-Methoxy-3-trifluoromethylphenyl isocyanate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 217.03506292
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)N=C=O)C(F)(F)F

Technology Process of 4-Methoxy-3-trifluoromethylphenyl isocyanate

There total 1 articles about 4-Methoxy-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:

→ 4-isocyanato-1-methoxy-2-trifluoromethyl-benzene (16588-76-4)

Guidance literature:

4-Methoxy-3-trifluormethyl-anilin (A(X)), Phosgen, Glyme, 80-83grad;

Reference yield:

(2-{[((6-(3-amino-phenyl)-imidazo[1,2-a]pyrazin-8-ylmethyl)-pyridin-4-ylmethyl)-amino]-ethyl})-carbamic acid tert-butyl ester + 4-isocyanato-1-methoxy-2-trifluoromethyl-benzene (16588-76-4) → {[(2-[6-{3-[3-(4-methoxy-3-trifluoromethyl-phenyl)-ureido]-phenyl}-imidazo[1,2-a]pyrazin-8-ylmethyl]-pyridin-4-ylmethyl)-amino]-ethyl}-carbamic acid tert-butyl ester

Guidance literature:

In dichloromethane; for 16h;

Reference yield:

6-amino-N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-benzothiophene-2-carboxamide dihydrochloride + 4-isocyanato-1-methoxy-2-trifluoromethyl-benzene (16588-76-4) → N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide

Guidance literature:

With triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 18h;

Downstream raw materials:

3-(4-methoxy-3-trifluoromethyl-phenyl)-6-methyl-[1,3]oxazine-2,4-dione

3,3',5'-tris(trifluoromethyl)-4-methoxycarbanilide

3-(4-methoxy-3-trifluoromethyl-phenyl)-6,7-dihydro-5H-cyclopenta[e][1,3]oxazine-2,4-dione

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