(R)-N-Formyl Octabase - CAS 51773-23-0

Catalog:	BB064575
Product Name:	(R)-N-Formyl Octabase
CAS:	51773-23-0
Synonyms:	(R)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl]-2(1H)-isoquinolinecarboxaldehyde

Technical Data

IUPAC Name:	1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
Description:	(R)-N-Formyl Octabase is a by-product and R isomer in the synthesis of N-Formyl Octabase (F700890), which is used in the synthertic preparation of morphinans and isoquinoline alkaloids.
Molecular Weight:	285.38
Molecular Formula:	C18H23NO2
Canonical SMILES:	COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2C=O
InChI:	InChI=1S/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3
InChI Key:	XSOPBBOEINVWML-UHFFFAOYSA-N
Solubility:	Chloroform (Sparingly), Methanol (Slightly)
Appearance:	Yellow to Dark Yellow Oil
Storage:	4°C, Inert atmosphere
References:	Kitamura, M. et al. Tetrahed. Lett., 28, 4829 (1987).

Complexity:	396
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.172878976
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.172878976
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9