4,7-Dimethoxy-1,10-phenanthroline

Catalog Number	ACM92149070-2
CAS	92149-07-0
Structure
Synonyms	1,10-Phenanthroline, 4,7-dimethoxy-
IUPAC Name	4,7-dimethoxy-1,10-phenanthroline
Molecular Weight	240.26
Molecular Formula	C14H12N2O2
Canonical SMILES	COC1=C2C=CC3=C(C=CN=C3C2=NC=C1)OC
InChI	ZPGVCQYKXIQWTP-UHFFFAOYSA-N
InChI Key	InChI=1S/C14H12N2O2/c1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13/h3-8H,1-2H3
Boiling Point	373.1±37.0 °C(Predicted)
Melting Point	197-212 °C
Purity	97%
Appearance	White to brown powder
Application	Palladium-catalyzed synthesis of benzofurans and coumarins from phenols and olefins. Copper-catalyzed intermolecular amidation and imidation of unactivted alkanes. Synthesis of amides via copper-catalyzed amidation of aryl halides using isocyanides. Copper-catalyzed benzylic C(sp3)-H alkoxylation of heterocyclic compounds. Iridium-catalyzed silylation of aryl C-H bonds. Palladium-catalyzed intramolecular cyclization of nitroalkenes: synthesis of thienopyrroles. A Copper-catalyzed N-alkynylation route to 2-substitued N-alkynyl pyrroles and their cyclization into pyrrolo[2,1-c]oxazin-1-ones
Complexity	259
Covalently-Bonded Unit Count	1
Exact Mass	240.089877630
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	240.089877630
Rotatable Bond Count	2
Topological Polar Surface Area	44.2 Ų