59771-24-3

Basic information

• Product Name: 1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE
• Synonyms: p-Isobutylpropiophenone;1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE;4'-isobutylpropiophenone;1-(4-(2-Methyl-propyl)phenyl)-1-propanone;1-(4-ISOBUTYLPHENYL)PROPANONE;BTB 10264;EINECS 261-922-9;ZINC02144727
• CAS NO: 59771-24-3
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• EINECS: 261-922-9
• Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 59771-24-3.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 286.2°C at 760 mmHg
• Flash Point: 116.9°C
• Appearance: /
• Density: 0.934g/cm³
• Vapor Pressure: 0.00268mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: 1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE(59771-24-3)
• EPA Substance Registry System: 1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE(59771-24-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 59771-24-3(Hazardous Substances Data)

Usage

Uses

4'-Isobutylpropiophenone is a reagent used in the continuous-flow synthesis of Ibuprofen.

Synthesis Reference(s)

Synthetic Communications, 21, p. 1473, 1991 DOI: 10.1080/00397919108016420

InChI:InChI=1/C13H18O/c1-4-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-8,10H,4,9H2,1-3H3

Upstream product

• 538-93-2 1-phenyl-2-methylpropane 
• 79-03-8 propionyl chloride 
• 80336-66-9 2-chloro-1-(4-isobutyl-phenyl)1-propanone 
• 80336-64-7 2-bromo-1-(4'-isobutyl-phenyl)-propan-1-one 
• 66202-89-9 p-isobutylpropiophenone dimethyl ketal 
• 104-51-8 1-butylbenzene 
• 802294-64-0 propionic acid 
• 38861-78-8 1-(4-isobutyl-phenyl)-ethanone 

Downstream Products

• 59770-94-4 1-(4-isobutylphenyl)propan-1-ol 
• 67174-35-0 diphenyl N-<2-(4-isobutylphenyl)-1-pyrrolidinopropylidene> 
• 88695-40-3 C₂₇H₃₁N₂OP 
• 88695-39-0 C₂₉H₃₅N₂OP 
• 67174-34-9 1-<1-(4-isobutylphenyl)-1-propenyl>pyrrolidine 
• 91306-51-3 1-(4-Isobutyl-phenyl)-2-phenylselanyl-propan-1-one 
• 101154-61-4 (4R,5R)-2-ethyl-2-<4-(2-methylpropyl)phenyl>-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester 
• 80336-64-7 2-bromo-1-(4'-isobutyl-phenyl)-propan-1-one 
• 80336-63-6 2-(1-bromoethyl)-2-[4-(2-methylpropyl)-phenyl]-1,3-dioxolane 
• 41283-72-1 ibuprofen ethyl ester 
• 61566-34-5 (+/-)-ibuprofen methyl ester 
• 115943-62-9 α-iodo-4-(2-methylpropyl)propiophenone 
• 87498-05-3 1,1-dimethoxy-1-(4-isobutylphenyl)-2-iodopropane 
• 80336-66-9 2-chloro-1-(4-isobutyl-phenyl)1-propanone 

Relevant articles and documents

A 4 - isobutyl phenyl ketone compounds (by machine translation)

The invention discloses a 4 - isobutyl phenyl ketone compounds, the compound structure is as follows: said compound 4 - isobutyl-benzene as the starting material, substituted sulfonic acid and substituted sulfonate as the catalyst, the reaction with the acyl chloride, the following reaction: the application of this method to synthesize 4 - isobutyl phenyl ketone compound, simple and convenient operation, mild reaction conditions, environment-friendly, and has excellent industrial prospect. (by machine translation)

Synthesis method of p-isobutyl-beta-chloro-alpha-methyl allyl benzene aldehyde

The invention discloses a synthesis method of p-isobutyl-beta-chloro-alpha-methyl allyl benzene aldehyde and relates to the technical field of fine chemical engineering. The synthesis method includes: using isobutylbenzene and propionyl chloride as raw materials, and generating p-isobutyl propiophenone through acylation reaction; enabling p-isobutyl propiophenone to be in acylation reaction with phosphorus oxychloride to obtain a silver aldehyde precursor- p-isobutyl-beta-chloro-alpha-methyl allyl benzene aldehyde. The synthesis method is easy-to-get in raw materials, high in yield and convenient for industrial large-scale production; content of byproducts-ortho- and meta-isobutyl-beta-chloro-alpha-methyl allyl benzene aldehyde is controlled below 0.2%, and impurity content in a final silver aldehyde product prepared after hydrodechlorination is controlled effectively, so that flavoring requirements of essence and flavor are met.

The digital code driven autonomous synthesis of ibuprofen automated in a 3D-printer-based robot

An automated synthesis robot was constructed by modifying an open source 3D printing platform. The resulting automated system was used to 3D print reaction vessels (reactionware) of differing internal volumes using polypropylene feedstock via a fused deposition modeling 3D printing approach and subsequently make use of these fabricated vessels to synthesize the nonsteroidal antiinflammatory drug ibuprofen via a consecutive one-pot three-step approach. The synthesis of ibuprofen could be achieved on different scales simply by adjusting the parameters in the robot control software. The software for controlling the synthesis robot was written in the python programming language and hard-coded for the synthesis of ibuprofen by the method described, opening possibilities for the sharing of validated synthetic 'programs' which can run on similar low cost, user-constructed robotic platforms towards an 'open-source' regime in the area of chemical synthesis.