Siponimod

Base Information

Chemical Name:Siponimod
CAS No.:916806-97-8
Molecular Formula:C14H15F3O2
Molecular Weight:272.267
Hs Code.:
Mol file:916806-97-8.mol

Synonyms:4-(cyclohexyl)-3-(trifluoromethyl)benzoic acid;Benzoic acid, 4-cyclohexyl-3-(trifluoromethyl)-

Suppliers and Price of Siponimod

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
4-cyclohexyl-3-(trifluoromethyl)benzoicacid
250mg
$ 430.40

Total 7 raw suppliers

Chemical Property of Siponimod

Chemical Property:

Boiling Point:349.8±42.0 °C(Predicted)
PKA:3.92±0.10(Predicted)
PSA：37.30000
Density:1.256±0.06 g/cm3(Predicted)
LogP:4.45130

Purity/Quality:

97% ^*data from raw suppliers

4-cyclohexyl-3-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Technology Process of Siponimod

There total 15 articles about Siponimod 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: 88.0%

: 1034188-31-2
2-(trifluoromethyl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-4-carboxylic acid

: 916806-97-8
4-cyclohexyl-3-(trifluoromethyl)benzoic acid

Guidance literature:: With palladium on activated charcoal; hydrogen; In methanol; at 50 ℃; for 72h; under 7600.51 Torr;

Reference yield: 73.6%

: 1131594-38-1
C₁₄H₁₇BrO₂

: 916806-97-8
4-cyclohexyl-3-(trifluoromethyl)benzoic acid

Guidance literature:: With copper(l) iodide; sodium 2,2,2-trifluoroacetate; In N,N-dimethyl-formamide; at 150 ℃; Inert atmosphere;

Reference yield:

: 261952-20-9
1-bromo-4-methyl-2-(trifluoromethyl)benzene

: 916806-97-8
4-cyclohexyl-3-(trifluoromethyl)benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: bis-triphenylphosphine-palladium(II) chloride; sodium methylate / methanol / 100 °C

2.1: hydrogen; 5%-palladium/activated carbon / methanol / 16 h / 60 °C / 3750.38 Torr

3.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / n-heptane; acetonitrile / 80 °C

4.1: isopropylmagnesium chloride / tetrahydrofuran / Inert atmosphere

4.2: -5 - 5 °C / Inert atmosphere

4.3: -5 - 5 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); 5%-palladium/activated carbon; hydrogen; isopropylmagnesium chloride; sodium methylate; In tetrahydrofuran; methanol; n-heptane; acetonitrile; 1.1: |Suzuki Coupling;