8-Amino-3,4-dihydro-2-methyl-1(2H)-isoquinolinone - CAS 878155-22-7

Name: 8-Amino-3,4-dihydro-2-methyl-1(2H)-isoquinolinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB054986
Product Name:	8-Amino-3,4-dihydro-2-methyl-1(2H)-isoquinolinone
CAS:	878155-22-7
Synonyms:	8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one; 8-amino-2-methyl-3,4-dihydroisoquinolin-1-one; 8-amino-2-methyl-3,4-dihydro-2h-isoquinolin-1-one; 2-Methyl-8-amino-3,4-dihydroisoquinoline-1(2H)-one

Technical Data

IUPAC Name:	8-amino-2-methyl-3,4-dihydroisoquinolin-1-one
Description:	An alternative microwave-assisted synthesis of 8-Amino-3,4-dihydro-2-methyl-1(2H)-isoquinolinone has been examined. The synthesis includes two one- pot procedures in which the key process involves the microwave- assisted hydrolysis of a nitrile group followed by lactamization under elevated temps.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	CN1CCC2=C(C1=O)C(=CC=C2)N
InChI:	InChI=1S/C10H12N2O/c1-12-6-5-7-3-2-4-8(11)9(7)10(12)13/h2-4H,5-6,11H2,1H3
InChI Key:	SCFYXRWBZVOLCS-UHFFFAOYSA-N
References:	Glossop, S. Synthesis, 7, 981 (2007).

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3