40886-61-1

Basic information

• Product Name: Benzenepropanoic acid, 4-methyl-b-oxo-a-(triphenylphosphoranylidene)-, ethyl ester
• CAS NO: 40886-61-1
• Molecular Formula: C30H27O3P
• Molecular Weight: 466.516
• Mol File: 40886-61-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzenepropanoic acid, 4-methyl-b-oxo-a-(triphenylphosphoranylidene)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, 4-methyl-b-oxo-a-(triphenylphosphoranylidene)-, ethyl ester(40886-61-1)
• EPA Substance Registry System: Benzenepropanoic acid, 4-methyl-b-oxo-a-(triphenylphosphoranylidene)-, ethyl ester(40886-61-1)

Safety Data

• Hazardous Substances Data: 40886-61-1(Hazardous Substances Data)

Upstream product

• 874-60-2 4-methyl-benzoyl chloride 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 

Downstream Products

• 52188-06-4 ethyl 3-(4-methylphenyl)prop-2-ynoate 
• 766-97-2 4-n-methylphenylacetylene 

Relevant articles and documents

Flash Vacuum Pyrolysis of Stabilised Phosphorus Ylides. Part 2. Two-step Conversion of Acid Chlorides into Acetylenic Esters and Terminal Alkynes

The known thermal extrusion of Ph3PO from α-acyl-α-ethoxycarbonyl ylides 1 to give acetylenic esters 2 can be accomplished in excellent yield by using flash vacuum (FVP) at 500 deg C.Upon rasing the furnace temperature to 750 deg C, this reaction is accompanied by unexpected loss of the ethoxycarbonyl group to give the terminal alkynes 7 in moderate yield.A mechanism is proposed for this reaction based on isotopic labelling studies.Ten new examples of ylides 1 have been prepared for the first time.