Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate

Base Information

• Chemical Name: Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate
• CAS No.: 1998-81-8
• Molecular Formula: C₁₁H₁₁F₄NO₂
• Molecular Weight: 265.207
• NSC Number: 51619
• DSSTox Substance ID: DTXSID90941918
• Wikidata: Q82918865
• Mol file: 1998-81-8.mol

Synonyms:1998-81-8;NSC51619;DTXSID90941918;NSC-51619;Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate

Chemical Property of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate

Chemical Property:

• Vapor Pressure: 0.0515mmHg at 25°C
• Boiling Point: 234.9°C at 760 mmHg
• Flash Point: 95.9°C
• Density: 1.326g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 265.07259124
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)NC1=CC(=C(C=C1)F)C(F)(F)F

Technology Process of Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate

There total 2 articles about Propan-2-yl hydrogen [4-fluoro-3-(trifluoromethyl)phenyl]carbonimidate 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:

2-Fluoro-5-nitrobenzotrifluoride (400-74-8) → N-<4-Fluor-3-trifluormethyl-phenyl>-carbamidsaeureisopropylester (1998-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Fe, aq. NH₄Cl

2: aq. Na₂CO₃

With iron; sodium carbonate; ammonium chloride;

DOI:10.1021/jm00334a041

Reference yield:

isopropyl chloroformate (108-23-6) + 4-Fluoro-3-trifluoromethylaniline (2357-47-3) → N-<4-Fluor-3-trifluormethyl-phenyl>-carbamidsaeureisopropylester (1998-81-8)

Guidance literature:

With sodium carbonate;

DOI:10.1021/jm00334a041

upstream raw materials:

isopropyl chloroformate

4-Fluoro-3-trifluoromethylaniline

2-Fluoro-5-nitrobenzotrifluoride