1180081-64-4

Basic information

• Product Name: morpholinium rac-3-benzoyl-2-methylpropionate monohydrate
• CAS NO: 1180081-64-4
• Molecular Weight: 297.351
• Mol File: 1180081-64-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: morpholinium rac-3-benzoyl-2-methylpropionate monohydrate(CAS DataBase Reference)
• NIST Chemistry Reference: morpholinium rac-3-benzoyl-2-methylpropionate monohydrate(1180081-64-4)
• EPA Substance Registry System: morpholinium rac-3-benzoyl-2-methylpropionate monohydrate(1180081-64-4)

Safety Data

• Hazardous Substances Data: 1180081-64-4(Hazardous Substances Data)

Upstream product

• 110-91-8 morpholine 
• 1771-65-9 2-methyl-4-oxo-4-phenylbutanoic acid 

Relevant articles and documents

Rac-3-Benzoyl-2-methyl-propionic acid and its organic salts: Possibilities of Yang photocyclization in crystals

The analysis of the crystal structures of rac-3-benzoyl-2-methyl-propionic acid, C11H12O3, (I), morpholinium rac-3-benzoyl-2-methyl-propionate monohydrate, C4H10NO+·C11H11O3 -·H2O, (II), pyridinium [hydrogen bis-(rac-3-benzoyl-2-methyl-propionate)], C5H6N+· (H+·2C11H11O3 -), (III), and pyrrolidinium rac-3-benzoyl-2-methyl-propionate rac-3-benzoyl-2-methyl-propionic acid, C4H10N+·C11H11O3 -·C11H12O3, (IV), has enabled us to predict and understand the behaviour of these compounds in Yang photocyclization. Mol-ecules containing the Ar - CO - C - C - CH fragment can undergo Yang photocyclization in solvents but they can be photoinert in the crystalline state. In the case of the compounds studied here, the long distances between the O atom of the carbonyl group and the -H atom, and between the C atom of the carbonyl group and the -C atom preclude Yang photocyclization in the crystals. Mol-ecules of (I) are deprotonated in a different manner depending on the kind of organic base used. In the crystal structure of (III), strong centrosymmetric O...H...O hydrogen bonds are observed.