2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- Product Name
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- CAS No.
- 898566-17-1
- Chemical Name
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- Synonyms
- 2-(4-Fluorophenyl)-5-(5-iodo-2-Methylbenzyl)thiophene;2-(4-Fluorophenyl);Canagliflozin INT5;)-5-(5-iodo-2-methyL;Canagliflozin iMpurity D;Kangglinide Intermediate;-5-(5-iodo-2-methylbenzyl);Canagliflozin Intermediate1;2-(4-Fluorophenyl)-5-(5- iodo-methylphenyI) metl;2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]
- CBNumber
- CB61463466
- Molecular Formula
- C18H14FIS
- Formula Weight
- 408.27
- MOL File
- 898566-17-1.mol
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene Property
- Melting point:
- 109-110 °C
- Boiling point:
- 450.2±45.0 °C(Predicted)
- Density
- 1.533
- vapor pressure
- 0-0Pa at 20-25℃
- storage temp.
- 2-8°C(protect from light)
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow
- InChI
- InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3
- InChIKey
- MGXZKAYHSITHMW-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(F)C=C2)SC(CC2=CC(I)=CC=C2C)=CC=1
- LogP
- 7.5 at pH7
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- F532295
- Product name
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- Packaging
- 250mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- Z3520
- Product name
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- Packaging
- 1g
- Price
- $33
- Updated
- 2021/12/16
- Product number
- 093061
- Product name
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $439
- Updated
- 2021/12/16
- Product number
- Z3520
- Product name
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
- Packaging
- 100g
- Price
- $872
- Updated
- 2021/12/16
- Product number
- HCH0037557
- Product name
- 2-(4-FLUOROPHENYL)-5-[(5-IODO-2-METHYLPHENYL)METHYL]THIOPHENE
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $909.56
- Updated
- 2021/12/16
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene Chemical Properties,Usage,Production
Chemical Properties
Pale Yellow Solid.
Uses
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene is an antidiabetic agent and a Canagliflozin (C175190) intermediate. Canagliflozin is a sodium/glucose cotransporter 2 (SGLT2) inhibitor and a candidate for the treatment of type 2 diabetes and obesity.
Synthesis
1030825-20-7
898566-17-1
2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene (100 g; cf. WO 2005/012326) was dissolved in toluene (300 mL) at room temperature and under nitrogen atmosphere. To this solution, sodium iodide (83 g), cuprous(I) iodide (2.64 g), N,N'-dimethylethylenediamine (2.94 mL) and diethylene glycol dimethyl ether (50 mL) were added sequentially. The reaction mixture was heated to reflux temperature and stirred continuously for 36 hours. Upon completion of the reaction, ethyl acetate (300 mL) was added to the mixture at 40 °C and filtered through a filter pre-coated with activated carbon. The filtrate was washed and concentrated. The resulting residue was suspended in methanol (426 mL) at reflux temperature for 75 minutes. Subsequently, the suspension was cooled to 25 °C and stirring was continued for 1 hour. The precipitate was collected by filtration, washed with methanol and dried under vacuum at 50 °C to afford 2-(5-iodo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene (94.9 g) in white crystalline form. The mass spectrum (APCI) showed a m/z of 409 (M + H); the melting point was 109-110°C. The crystal was found to have the following properties.
References
[1] Patent: WO2009/35969, 2009, A1. Location in patent: Page/Page column 77
[2] Patent: US2010/99883, 2010, A1. Location in patent: Page/Page column 43
[3] Patent: US2016/228375, 2016, A1. Location in patent: Paragraph 0097; 0098
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene manufacturers
- Product
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene 898566-17-1
- Price
- US $100.00-60.00/kg
- Min. Order
- 100kg
- Purity
- 99.99%
- Supply Ability
- 100Tons
- Release date
- 2023-03-06
- Product
- 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene 898566-17-1
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-01
- Product
- 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene 898566-17-1
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1 ton
- Release date
- 2024-01-02