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MacMillan Imidazolidinone Organocatalysts
(5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride

(5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride - CAS 278173-23-2

(5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride is a macmillan imidazolidinone organocatalyst that has been intensively applied in catalytic asymmetric reactions.

Catalog Number

278173-23-2

CAS

278173-23-2

IUPAC Name

(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one;hydrochloride

Synonyms

(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one; hydrochloride; 278173-23-2; (5S)-(-)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinonemonohydrochloride; UNII-785PBY3X4M; (S)-5-benzyl-2,2,3-trimethylimidazolidin-4-onehydrochloride

Molecular Weight

254.76

Molecular Formula

C13H18N2O.HCl

Product Information

Canonical SMILES

CC1(NC(C(=O)N1C)CC2=CC=CC=C2)C.Cl

InChI

InChI=1S/C13H18N2O.ClH/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;/h4-8,11,14H,9H2,1-3H3;1H/t11-;/m0./s1

InChI Key

YIYFEXGDFJLJGM-MERQFXBCSA-N

Purity

95%

MDL

MFCD03426983

Physical State

Solid

Appearance

Powder or Crystalline

Storage

Sealed in dry. Room temperature.

Boiling Point

351ºC at 760 mmHg

Melting Point

157-161ºC(lit.)

Optical Activity

-67°( c = 1 in water)

WGK Germany

Reference Reading

1.Quantitative crystallinity determination for E1010, a novel carbapenem antibiotic, using differential scanning calorimetry.

Kushida I1. J Pharm Pharmacol. 2012 Mar;64(3):366-71. doi: 10.1111/j.2042-7158.2011.01419.x. Epub 2011 Dec 8.

OBJECTIVES: The objective of this study was to develop a quantitative crystallinity analysis method for the bulk drug of E1010 ((+)-(4R,5S,6S)-6-[(R)-1-hydroxyethyl]-3-[(2S,4S)-2-[(R)-1-hydroxy-1-[(R)-pyrrolidin-3 -yl]methyl]pyrrolidin-4-yl]thio-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrochloride), a novel carbapenem antibiotic.

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass