2,2-Diphenylcyclopropanecarboxylic Acid Ethyl Ester - CAS 37555-46-7

Catalog:	BB066714
Product Name:	2,2-Diphenylcyclopropanecarboxylic Acid Ethyl Ester
CAS:	37555-46-7
Synonyms:	Ethyl 2,2-Diphenylcyclopropanecarboxylate; Ethyl 2,2-Diphenylcyclopropylcarboxylate

Technical Data

IUPAC Name:	ethyl 2,2-diphenylcyclopropane-1-carboxylate
Description:	2,2-Diphenylcyclopropanecarboxylic Acid Ethyl Ester is an intermediate in the synthesis of Cibenzoline, an antiarrhythmic drug that relieves the outflow tract obstruction of hypertrophic obstructive cardiomyopathy (HOCM).
Molecular Weight:	266.33
Molecular Formula:	C18H18O2
Canonical SMILES:	CCOC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C18H18O2/c1-2-20-17(19)16-13-18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChI Key:	HBYYFHBROCTZIF-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Clear Colorless Oil
Storage:	Refrigerator
References:	Ross, A.J., et al. J. Pharmaceut. Sci., 76, 306 (1987); Schultz, A.L., et al. J. Org. Chem., 36, 383 (1971).

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.130679813
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.130679813
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4