6-Methoxynaphth-1-yl trifluoromethanesulfonate - CAS 350584-53-1

Catalog:	BB076159
Product Name:	6-Methoxynaphth-1-yl trifluoromethanesulfonate
CAS:	350584-53-1
Synonyms:	Trifluoro-methanesulfonic Acid 6-Methoxy-1-naphthalenyl Ester; 6-(Methyloxy)naphthalen-1-yl trifluoromethanesulfonate; 6-Methoxy-1-naphthyl triflate

Technical Data

IUPAC Name:	(6-methoxynaphthalen-1-yl) trifluoromethanesulfonate
Description:	6-Methoxynaphth-1-yl trifluoromethanesulfonate is a useful synthetic intermediate. It is used to prepare analogs of GW 4064 with FXR agonists. It is also used to synthesize arylpiperazinylethylthienopyrancarboxamides as selective and potent 5-HT reuptake inhibitors with 5-HT1D antagonist activities.
Molecular Weight:	306.26
Molecular Formula:	C12H9F3O4S
Canonical SMILES:	COC1=CC2=C(C=C1)C(=CC=C2)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C12H9F3O4S/c1-18-9-5-6-10-8(7-9)3-2-4-11(10)19-20(16,17)12(13,14)15/h2-7H,1H3
InChI Key:	BDVINXKBCYLUBD-UHFFFAOYSA-N
References:	Akwabi-Ameyaw, A., et al. Bioorg. Med. Chem. Lett., 19, 4733 (2009); Torrado, A., et al. Bioorg. Med. Chem., 12, 5277 (2004).

Complexity:	429
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.01736442
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	306.01736442
Rotatable Bond Count:	3
Topological Polar Surface Area:	61Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9