Trifopsime

Base Information

• Chemical Name: Trifopsime
• CAS No.: 72131-76-1
• Molecular Formula: C₁₉H₁₈F₃NO₄
• Molecular Weight: 381.351
• UNII: YW60G3404R
• DSSTox Substance ID: DTXSID60992851
• Mol file: 72131-76-1.mol

Synonyms:Trifopsime;Trifopsime [ISO];UNII-YW60G3404R;YW60G3404R;72131-76-1;SCHEMBL134751;DTXSID60992851;IBHCSFXTRODDNR-CYBMUJFWSA-N;NS00133833;Q27294739;2-PROPANONE, O-((2R)-1-OXO-2-(4-(4-(TRIFLUOROMETHYL)PHENOXY)PHENOXY)PROPYL)OXIME;2-PROPANONE, O-(1-OXO-2-(4-(4-(TRIFLUOROMETHYL)PHENOXY)PHENOXY)PROPYL)OXIME, (R)-

Chemical Property of Trifopsime

Chemical Property:

• Vapor Pressure: 5.19E-08mmHg at 25°C
• Boiling Point: 442°Cat760mmHg
• Flash Point: 221.1°C
• Density: 1.21g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 381.11879254
• Heavy Atom Count: 27
• Complexity: 504

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)ON=C(C)C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F
• Isomeric SMILES: C[C@H](C(=O)ON=C(C)C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F

Technology Process of Trifopsime

There total 8 articles about Trifopsime 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-(4'-(4''-trifluoromethylphenoxy)phenoxy)propionyl chloride (58594-98-2) + acetone oxime (127-06-0) → acetone O-[2-[p-(p-trifluoromethylphenoxy)phenoxy]propionyl]-oxime (72131-76-1,77108-14-6,72131-80-7)

Guidance literature:

With pyridine; In tetrahydrofuran;

Reference yield:

p-[4-(trifluoromethyl)phenoxy]phenol (39634-42-9) + O--aceton-oxim (83261-10-3) → O-<(+)-D-2-<4-(4-(trifluoromethyl)phenoxy)phenoxy>propionyl>-aceton oxime (72131-76-1,77108-14-6,72131-80-7) + O-propionyl>-aceton oxime (72131-76-1,77108-14-6,72131-80-7)

Guidance literature:

With lithium hydride; In dimethyl sulfoxide; Yield given. Yields of byproduct given. Title compound not separated from byproducts; 1.) 98 deg C; 2.) RT, 30 min;

DOI:10.1002/hlca.19820650413

Reference yield:

p-[4-(trifluoromethyl)phenoxy]phenol (39634-42-9) + O--aceton-oxim (83261-10-3) → O-<(+)-D-2-<4-(4-(trifluoromethyl)phenoxy)phenoxy>propionyl>-aceton oxime (72131-76-1,77108-14-6,72131-80-7) + O-propionyl>-aceton oxime (72131-76-1,77108-14-6,72131-80-7)

Guidance literature:

With lithium hydride; In dimethyl sulfoxide; Yield given. Yields of byproduct given. Title compound not separated from byproducts; 1.) 98 deg C; 2.) RT, 30 min;

DOI:10.1002/hlca.19820650413

upstream raw materials:

p-[4-(trifluoromethyl)phenoxy]phenol

O--aceton-oxim

O--aceton-oxim

O--aceton-oxim