(R)-2,2-Dimethylcyclopropanecarboxylic Acid Chloride - CAS 500906-25-2

Catalog:	BB068467
Product Name:	(R)-2,2-Dimethylcyclopropanecarboxylic Acid Chloride
CAS:	500906-25-2
Synonyms:	(1R)-2,2-Dimethylcyclopropanecarbonyl chloride; (r)-2,2-dimethylcyclopropanecarboxylic acid chloride

Technical Data

IUPAC Name:	(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
Description:	(R)-2,2-Dimethylcyclopropanecarboxylic Acid Chloride is an intermediate in the synthesis of (R,R)-Cilastatin (C441120), which is a derivative of Cilastatin (C441100), prevents renal metabolism of penem and carbapenem antibiotics by specific and reversible dehydropeptidase I inhibition. Antibacterial adjunct.
Molecular Weight:	132.59
Molecular Formula:	C6H9ClO
Canonical SMILES:	CC1(CC1C(=O)Cl)C
InChI:	InChI=1S/C6H9ClO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3/t4-/m0/s1
InChI Key:	QQNQOWHUBGUGQI-BYPYZUCNSA-N
References:	Finlay, K.R., et al. Invest. Ophthalmol. Visual Sci., 24, 1147 (1983), Norrby, S.R., et al. Antimicrob. Agents Chemother., 23, 300 (1983), Washburn, D.E., et al. J. Antimicrob. Chemother., 12, 39 (1983),.

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	132.0341926
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.0341926
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1