33388-19-1

Basic information

• Product Name: 2(3H)-Benzoxazolone,3-(1-oxopropyl)-
• Synonyms: 2-Benzoxazolinone,3-propionyl- (8CI);3-Propionyl-2-benzoxazolinone
• CAS NO: 33388-19-1
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.1834
• Product Categories: Oxazole&Isoxazole
• Mol File: 33388-19-1.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 305.7 °C at 760 mmHg
• Flash Point: 138.7 °C
• Appearance: /
• Density: 1.319g/cm³
• Vapor Pressure: 0.000807mmHg at 25°C
• Refractive Index: 1.581
• Storage Temp.: 2-8°C
• PKA: -1.25±0.20(Predicted)
• CAS DataBase Reference: 2(3H)-Benzoxazolone,3-(1-oxopropyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2(3H)-Benzoxazolone,3-(1-oxopropyl)-(33388-19-1)
• EPA Substance Registry System: 2(3H)-Benzoxazolone,3-(1-oxopropyl)-(33388-19-1)

Safety Data

• Hazardous Substances Data: 33388-19-1(Hazardous Substances Data)

Usage

General Description

2(3H)-Benzoxazolone,3-(1-oxopropyl)- is a chemical compound with the molecular formula C11H9NO3. It is a type of benzoxazolone, which is a heterocyclic compound containing a benzene ring fused to a oxazole ring. This particular compound contains an oxopropyl group attached to the 3-position of the benzoxazolone core structure. It is commonly used in the synthesis of pharmaceuticals and agrochemicals, as well as in the production of dyes and pigments. Additionally, it has potential applications in the field of material science and as a building block for organic synthesis. Due to its versatile nature and potential applications, 2(3H)-Benzoxazolone,3-(1-oxopropyl)- is of interest to researchers in various scientific disciplines.

InChI:InChI=1/C10H9NO3/c1-2-9(12)11-7-5-3-4-6-8(7)14-10(11)13/h3-6H,2H2,1H3

Upstream product

• 59-49-4 2-Benzoxazolinone 
• 79-03-8 propionyl chloride 
• 123-62-6 propionic acid anhydride 

Downstream Products

• 54903-11-6 6-propanoyl-3H-1,3-benzoxazol-2-one 
• 70735-80-7 4-propionyl-3H-benzooxazol-2-one 
• 287398-91-8 (+/-)-N-[(2S*,3S*)-(5-fluoro-3-hydroxy-2-methylpentanoyl)]-2-benzoxazolinone 
• 287398-91-8 (+/-)-N-[(2S*,3R*)-(5-fluoro-3-hydroxy-2-methylpentanoyl)]-2-benzoxazolinone 
• 54943-19-0 3-methyl-6-propionyl-3H-benzooxazol-2-one 
• 287398-88-3 (+/-)-N-(2-(1-Hydroxycyclohexyl)propionyl)-2-benzoxazolone 
• 59-49-4 2-Benzoxazolinone 
• 1356850-88-8 (Z)-allyl (1-(2-oxobenzo[d]oxazol-3(2H)-yl)prop-1-en-1-yl) carbonate 
• 1266603-83-1 3-(3-phenylpropanoyl)benzo[d]oxazol-2(3H)-one 
• 1356851-38-1 3-(5-((tert-butyldiphenylsilyl)oxy)pentanoyl)benzo[d]oxazol-2(3H)-one 
• 1356850-96-8 cinnamyl ((Z)-1-(2-oxobenzo[d]oxazol-3(2H)-yl)pent-1-en-1-yl) carbonate 
• 1356850-98-0 (Z)-2-methylallyl (1-(2-oxobenzo[d]oxazol-3(2H)-yl)-3-phenylprop-1-en-1-yl) carbonate 
• 1356850-99-1 (Z)-allyl (2-cyclohexyl-1-(2-oxobenzo[d]oxazol-3(2H)-yl)vinyl) carbonate 
• 1356851-00-7 cinnamyl ((Z)-2-cyclohexyl-1-(2-oxobenzo[d]oxazol-3(2H)-yl)vinyl) carbonate 

Relevant articles and documents

Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases

The present invention provides for a polyketide synthase (PKS) capable of synthesizing a 3-hydroxycarboxylic acid or ketone. The present invention also provides for a host cell comprising the PKS and when cultured produces the 3-hydroxycarboxylic acid or ketone.

Palladium-catalyzed allylic alkylation of carboxylic acid derivatives: N-acyloxazolinones as ester enolate equivalents

Triple A: A general asymmetric allylic alkylation of ester enolate equivalents at the carboxylic acid oxidation state is reported. N-Acylbenzoxazolinone-derived enol carbonates were synthesized and employed in the palladium-catalyzed alkylation reaction. The imide products were readily converted into a series of carboxylic acid derivatives without loss of enantiopurity.

Electrogenerated N-heterocyclic carbenes: N-functionalization of benzoxazolones

A simple electrochemical procedure for the N-acylation and N-alkylation of benzoxazol-2(3H)-ones has been set up via electrolysis of an ionic liquid containing a benzoxazolone followed by addition of saturated or unsaturated anhydrides or alkyl halides. The electrochemically induced N-functionalization of benzoxazol-2(3H)-ones works very well in all tested ionic liquids, avoiding the use of volatile organic solvents. The N-acyl and N-alkyl derivatives of benzoxazol-2(3H)-ones were isolated in good to excellent yields; moreover, the ionic liquid has been reused fivefold maintaining the high yield of the products.