(1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)-cyclopropanecarboxylic Acid Ethyl Ester - CAS 452324-74-2

Catalog:	BB067701
Product Name:	(1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)-cyclopropanecarboxylic Acid Ethyl Ester
CAS:	452324-74-2
Synonyms:	(1R,2R)-Ethyl 2-(2,3-dihydrobenzofuran-4-yl)cyclopropanecarboxylate; (1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)-cyclopropanecarboxylic Acid Ethyl Ester; ETHYL (1R,2R)-2-(2,3-DIHYDRO-1-BENZOFURAN-4-YL)CYCLOPROPANE-1-CARBOXYLATE

Technical Data

IUPAC Name:	ethyl (1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylate
Description:	(1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)-cyclopropanecarboxylic Acid Ethyl Ester is an intermediate in the synthesis of tasimelteon (T007740). Tasimelteon is a novel drug, used in the treatment of non-24 hour sleep-wake disorder. It helps to correct the circadian rhythm disorder often seen in patients who are visually impaired.
Molecular Weight:	216.28
Molecular Formula:	C14H16O2
Canonical SMILES:	CCOC(=O)C1CC1C2=C3CCOC3=CC=C2
InChI:	InChI=1S/C14H16O3/c1-2-16-14(15)12-8-11(12)9-4-3-5-13-10(9)6-7-17-13/h3-5,11-12H,2,6-8H2,1H3/t11-,12+/m0/s1
InChI Key:	ZMOXNJBPBINVIF-NWDGAFQWSA-N
References:	Lahon, J. et al. World. J. Pharm. Res., 3, 1521 (2014).

Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	232.109944368
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.109944368
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3