21550-12-9

Basic information

• Product Name: 3'-METHYLBUTYROPHENONE
• Synonyms: Butyrophenone,3'-methyl- (7CI,8CI)
• CAS NO: 21550-12-9
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.2336
• Mol File: 21550-12-9.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 248.9°C at 760 mmHg
• Flash Point: 110.2°C
• Appearance: /
• Density: 0.952g/cm³
• Vapor Pressure: 0.0236mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: 3'-METHYLBUTYROPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3'-METHYLBUTYROPHENONE(21550-12-9)
• EPA Substance Registry System: 3'-METHYLBUTYROPHENONE(21550-12-9)

Safety Data

• Hazardous Substances Data: 21550-12-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H14O/c1-3-5-11(12)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3

Upstream product

• 108-88-3 toluene 
• 107-92-6 butyric acid 
• 109480-78-6 N-methoxy-N-methylbutanamide 
• 28987-79-3 m-tolylmagnesium bromide 
• 123-73-9 trans-Crotonaldehyde 
• 17933-03-8 m-tolylboronic acid 
• 102-82-9 tributyl-amine 
• 625-95-6 3-Iodotoluene 
• 64-18-6 formic acid 
• 106-94-5 propyl bromide 
• 927-77-5 n-propylmagnesium bromide 
• 620-22-4 3-Methylbenzonitrile 
• 141-75-3 butyryl chloride 
• 68971-88-0 Tributyl-m-tolyl-stannane 

Downstream Products

• 1567845-82-2 diethyl 2-acetamido-2-(3-butyrylbenzyl)malonate 
• 253342-48-2 4,4,5,5-tetramethyl-2-m-tolyl-1,3,2-dioxaborolane 

Relevant articles and documents

Iridium-Catalyzed Asymmetric Hydrogenation of α-Fluoro Ketones via a Dynamic Kinetic Resolution Strategy

The discrimination of a fluorine atom from a hydrogen atom has been challenging in asymmetric catalysis. We herein report iridium-catalyzed hydrogenation of α-fluoro ketones using a strategy of dynamic kinetic resolution. Both enantiomeric and diastereomeric selectivities were satisfactory in the preparation of β-fluoro alcohols. The DFT calculation revealed a C-F···Na charge-dipole interaction in the transition state of hydride transfer. This noncovalent interaction would be responsible for the diastereomeric control.

Palladium-Catalyzed Carbonylative Coupling of Aryl Iodides with Alkyl Bromides: Efficient Synthesis of Alkyl Aryl Ketones

Alkyl aryl ketones are important structures with applications in many areas of chemistry. Hence, efficient procedures for their production are particularly attractive. In this communication, a general and efficient carbonylative cross-coupling of aryl iodides and unactivated alkyl bromides is presented. By using a simple palladium catalyst, a series of alkyl aryl ketones were synthesized in moderate to excellent yields from readily available alkyl and aryl halides in an In-Ex tube with formic acid as the CO source. In this study both primary and secondary alkyl bromides/iodides were suitable coupling partners. Additionally, this method can also be employed for the late-stage functionalization of complex natural products and polyfunctionalized molecules. (Figure presented.).

The genetic incorporation of thirteen novel non-canonical amino acids

Thirteen novel non-canonical amino acids were synthesized and tested for suppression of an amber codon using a mutant pyrrolysyl-tRNA synthetase-tRNAPylCUA pair. Suppression was observed with varied efficiencies. One non-canonical amino acid in particular contains an azide that can be applied for site-selective protein labeling. The Royal Society of Chemistry 2014.