Laflunimus

Base Information

• Chemical Name: Laflunimus
• CAS No.: 147076-36-6
• Molecular Formula: C15H13 F3 N2 O2
• Molecular Weight: 310.27
• Mol file: 147076-36-6.mol

Synonyms:2-Propenamide,2-cyano-3-cyclopropyl-3-hydroxy-N-[3-methyl-4-(trifluoromethyl)phenyl]-, (Z)-;(Z)-a-Cyano-a4',a4',a4'-trifluoro-b-hydroxycyclopropaneacrylo-3',4'-xylidide; Laflunimus

Chemical Property of Laflunimus

Chemical Property:

• Vapor Pressure: 2.06E-07mmHg at 25°C
• Boiling Point: 408.7°Cat760mmHg
• Flash Point: 201°C
• PSA: 73.12000
• Density: 1.441g/cm³
• LogP: 3.77098

Purity/Quality:

97% ^*data from raw suppliers

Laflunimus ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Laflunimus

There total 5 articles about Laflunimus 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-iodo-5-nitrotoluene (5326-38-5) → (1-(3-methyl-4-trifluoromethylphenyl-carbomyl)-2-cyclopropyl-2-oxo-propionitrile) (147076-36-6,171197-16-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent / Cu / dimethylformamide / 5 h / 150 °C

2: 93 percent / H₂ / 5percent Pd/C / methanol / 937.6 Torr

3: CH₂Cl₂ / Heating

4: 1.) NaH / 1.) THF, RT, 30 min, 2.) THF, RT, 1 h

With hydrogen; copper; sodium hydride; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm9604437

Reference yield:

2-methyl-4-nitro-1-(trifluoromethyl)benzene (1960-52-7) → (1-(3-methyl-4-trifluoromethylphenyl-carbomyl)-2-cyclopropyl-2-oxo-propionitrile) (147076-36-6,171197-16-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / H₂ / 5percent Pd/C / methanol / 937.6 Torr

2: CH₂Cl₂ / Heating

3: 1.) NaH / 1.) THF, RT, 30 min, 2.) THF, RT, 1 h

With hydrogen; sodium hydride; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm9604437

Reference yield:

2-methyl-4-nitro-benzenamine (99-52-5) → (1-(3-methyl-4-trifluoromethylphenyl-carbomyl)-2-cyclopropyl-2-oxo-propionitrile) (147076-36-6,171197-16-3)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) H₂SO₄, aq. NaNO₂, 2.) KI / 1.) from 0 to 5 deg C, 2.) a.) H₂O, RT, 2 h, b.) from 50 to 60 deg C, 1 h

2: 95 percent / Cu / dimethylformamide / 5 h / 150 °C

3: 93 percent / H₂ / 5percent Pd/C / methanol / 937.6 Torr

4: CH₂Cl₂ / Heating

5: 1.) NaH / 1.) THF, RT, 30 min, 2.) THF, RT, 1 h

With sulfuric acid; hydrogen; copper; sodium hydride; potassium iodide; sodium nitrite; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm9604437

upstream raw materials:

cyclopropanecarboxylic acid chloride

2-Cyano-N-(3-methyl-4-trifluoromethyl-phenyl)-acetamide

2-iodo-5-nitrotoluene

3-methyl-4-trifluoromethylphenylamine

Downstream raw materials:

2-(4-O-methyl-β-D-glucopyranosyl)-(3-methyl-4-trifluoromethyl-amidophenyl)oxyacetate