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

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.

Dirhodium(ii)/P(t-Bu)3 catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids

Phosphine ligated dirhodium(ii) acetate is advocated as a catalyst for the synthesis of aryl alkyl ketones by the tandem reaction of α,β-unsaturated aromatic or aliphatic aldehydes with arylboronic acids. This tandem procedure included arylation followed by the isomerization reaction. This method exhibits good functional group tolerance and has a broad substrate scope. With the conjugated aldehydes, the one-step synthesis of γ,δ-unsaturated ketones was realized through this reaction. It is noteworthy that the length of the Rh-P bond is an important factor affecting catalytic reactions. The comparative analysis of the crystal structures of axially alkylphosphane and arylphosphane ligated dirhodium(ii) acetate revealed that the shorter Rh-P bond length favors the isomerization process as compared to the longer one. In addition, the dirhodium(ii) compound can be recovered after the completion of the reaction.

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.