2-(4-Fluorophenyl)-5-[(2-methylphenyl)methyl]thiophene - CAS 2005454-69-1
Catalog: |
BB056077 |
Product Name: |
2-(4-Fluorophenyl)-5-[(2-methylphenyl)methyl]thiophene |
CAS: |
2005454-69-1 |
Synonyms: |
2-(4-fluorophenyl)-5-(2-methylbenzyl)thiophene; 2-(4-fluorophenyl)-5-[(2-methylphenyl)methyl]thiophene; 2-(4-Fluorophenyl)-5-((2-methylphenyl)methyl)thiophene; Thiophene, 2-(4-fluorophenyl)-5-((2-methylphenyl)methyl)- |
IUPAC Name: | 2-(4-fluorophenyl)-5-[(2-methylphenyl)methyl]thiophene |
Description: | 2-(4-Fluorophenyl)-5-[(2-methylphenyl)methyl]thiophene is an intermediate for scalable and cost-effective optimized synthesis of Canagliflozin. |
Molecular Weight: | 282.38 |
Molecular Formula: | C18H15FS |
Canonical SMILES: | CC1=CC=CC=C1CC2=CC=C(S2)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C18H15FS/c1-13-4-2-3-5-15(13)12-17-10-11-18(20-17)14-6-8-16(19)9-7-14/h2-11H,12H2,1H3 |
InChI Key: | MBIKSWXTVNXVHU-UHFFFAOYSA-N |
Melting Point: | 59- 61°C |
Solubility: | Acetonitrile (Slightly), Chloroform (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Inert atmosphere |
References: | Metil, D., et al. Org. Process Res. Dev., 22, 27 (2018). |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.08784981 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.08784981 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 28.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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