(3R,4S)-3,4,7,8-Tetrahydro-3,4-dihydroxy-1(2H)-azocinecarboxylic Acid Phenylmethyl Ester - CAS 1315552-01-2

Catalog:	BB057599
Product Name:	(3R,4S)-3,4,7,8-Tetrahydro-3,4-dihydroxy-1(2H)-azocinecarboxylic Acid Phenylmethyl Ester
CAS:	1315552-01-2
Synonyms:	(3R,4S,Z)-Benzyl 3,4-dihydroxy-3,4,7,8-tetrahydroazocine-1(2H)-carboxylate; Benzyl (3R,4S,Z)-3,4-dihydroxy-3,4,7,8-tetrahydroazocine-1(2H)-carboxylate

Technical Data

IUPAC Name:	benzyl (3R,4S,5Z)-3,4-dihydroxy-3,4,7,8-tetrahydro-2H-azocine-1-carboxylate
Description:	(3R,4S)-3,4,7,8-Tetrahydro-3,4-dihydroxy-1(2H)-azocinecarboxylic Acid Phenylmethyl Ester is an intermediate in the synthesis of Loline (I707255), an alkaloid isolated from fungal endophytes, an endosymbiont that lives within a plant.
Molecular Weight:	277.32
Molecular Formula:	C15H19NO4
Canonical SMILES:	C1CN(CC(C(C=C1)O)O)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C15H19NO4/c17-13-8-4-5-9-16(10-14(13)18)15(19)20-11-12-6-2-1-3-7-12/h1-4,6-8,13-14,17-18H,5,9-11H2/b8-4-/t13-,14+/m0/s1
InChI Key:	DUWWKWKDLWAHFM-FXGKEJOTSA-N
Solubility:	DCM, Ethyl Acetate, Methanol
Appearance:	Brown Oil
References:	Cakmak, M., et al. Nature. Chem., 3, 543 (2011).

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	1
Exact Mass:	277.13140809
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	277.13140809
Rotatable Bond Count:	3
Topological Polar Surface Area:	70Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1