ChemicalBook--->CAS DataBase List--->58861-48-6

58861-48-6

58861-48-6 Structure

58861-48-6 Structure
IdentificationBack Directory
[Name]

2-(4-FLUOROPHENYL)THIOPHENE
[CAS]

58861-48-6
[Synonyms]

2-(4-FL
AKOS BAR-1344
Canagliflozin INT2
IFLAB-BB F2108-0130
Impurity of caglitazin
Cagliflozin Impurity 14
2-(4-fluorophenyl)thiophen
Canagliflozin intermediate
2-(4-FLUOROPHENYL)THIOPHENE
Canagliflozin Intermediate I
Thiophene, 2-(4-fluorophenyl)-
2-(4-Fluorophenyl)thiophene>
Canagliflozin Related Impurity 14
2-(4-FLUOROPHENYL)THIOPHENE 58861-48-6
2-(4-FLUOROPHENYL)THIOPHENE ISO 9001:2015 REACH
[EINECS(EC#)]

611-756-1
[Molecular Formula]

C10H7FS
[MDL Number]

MFCD06802535
[MOL File]

58861-48-6.mol
[Molecular Weight]

178.23
Chemical PropertiesBack Directory
[Melting point ]

51.0 to 55.0 °C
[Boiling point ]

252.3±15.0 °C(Predicted)
[density ]

1.200±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

Light orange to Yellow to Green
[InChI]

InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
[InChIKey]

PURJRGMZIKXDMW-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(F)C=C2)SC=CC=1
[CAS DataBase Reference]

58861-48-6
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
[REACH Registrations]

Active
[HS Code ]

2934999090
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Uses]

2-(4-Fluorophenyl)-thiophene can be used to prepare Canagliflozin (C175190) as sodium-dependent glucose co-transporter 2 (SGLT2) inhibitor for treatment of type 2 diabetes mellitus.
[Synthesis]

4-fluorobenzoic boric acid and 2-bromothiophene, Pd catalyst are added in organic solvent and dissolves, obtain material 3, wherein: 4-fluorine Phenylboric acid molar concentration in organic solvent is 0.5mol/L~2mol/L, and 4-fluorobenzoic boric acid with the mol ratio of 2-bromothiophene is 1:1.0~1:1.5,4-fluorobenzoic boric acid is 1:0.005~1:0.1 with the mol ratio of catalyst;Using material 3 with as material 4 Inorganic base aqueous solution carries out pre-incubation respectively to being 1:1.0~1 according to the mol ratio of 4-fluorobenzoic boric acid Yu alkali after reaction temperature: The mode of 3.0 mixes, and reacts under conditions of 50 ℃~80 ℃, then carries out post processing and obtains 2-(4-fluorophenyl) Thiophene.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-Fluorophenyl)-thiophene(58861-48-6)1HNMR
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