(R)-2-Benzyl-3-hydroxypropyl Acetate - CAS 110270-49-0

Catalog:	BB073696
Product Name:	(R)-2-Benzyl-3-hydroxypropyl Acetate
CAS:	110270-49-0
Synonyms:	(2R)-2-(phenylmethyl)-1,3-propanediol 1-Acetate; (R)-2-(Phenylmethyl)-1,3-propanediol Monoacetate

Technical Data

IUPAC Name:	[(2R)-2-benzyl-3-hydroxypropyl] acetate
Description:	(R)-2-Benzyl-3-hydroxypropyl Acetate is an intermediate in the synthesis of Retorphan (R278500), a powerful and selective inhibitors of neprilysin and are being developed as therapeutic agents. Retorphan behave as the prodrug of the enantiomers of Thiorphan (T369500).
Molecular Weight:	208.25
Molecular Formula:	C12H16O3
Canonical SMILES:	CC(=O)OCC(CC1=CC=CC=C1)CO
InChI:	InChI=1S/C12H16O3/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-/m1/s1
InChI Key:	CBYFARAUSMBSDY-GFCCVEGCSA-N
Solubility:	Chloroform, DCM, Ethyl Acetate, Methanol
Appearance:	Colourless Oil
References:	Monteil, T., et al. Synth. Commun., 31, 211 (2001).

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	208.109944368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.109944368
Rotatable Bond Count:	6
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6