4023-84-1

Basic information

• Product Name: 4-METHYLBENZALACETONE
• Synonyms: 4-METHYLBENZALACETONE;4-Methylbenzylideneacetone
• CAS NO: 4023-84-1
• Molecular Formula: C₁₁H₁₂O
• Molecular Weight: 160.22
• Mol File: 4023-84-1.mol
• Article Data: 57

Chemical Properties

• Boiling Point: 280.6°Cat760mmHg
• Flash Point: 101.3°C
• Appearance: /
• Density: 0.999g/cm³
• Vapor Pressure: 0.00375mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: 4-METHYLBENZALACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLBENZALACETONE(4023-84-1)
• EPA Substance Registry System: 4-METHYLBENZALACETONE(4023-84-1)

Safety Data

• Hazardous Substances Data: 4023-84-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H12O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8H,1-2H3/b8-5+

Upstream product

• 104-87-0 4-methyl-benzaldehyde 
• 67-64-1 acetone 
• 94329-03-0 2-<4-Methyl-benzyliden>-acetessigsaeure-tert.-butylester 
• 106-96-7 propargyl bromide 
• 108-88-3 toluene 
• 141-97-9 ethyl acetoacetate 
• 5720-05-8 4-methylphenylboronic acid 
• 5720-07-0 4-methoxyphenylboronic acid 
• 100-52-7 benzaldehyde 
• 127623-84-1 1-(4-Methylphenyl)-2-butyn-1-ol 
• 104-81-4 4-Methylbenzyl bromide 
• 20574-99-6 1-(but-3-en-1-yl)-4-methylbenzene 
• 1439-36-7 1-triphenylphosphoranylidene-2-propanone 
• 122-00-9 para-methylacetophenone 

Downstream Products

• 7774-79-0 4-(4-methylphenyl)butan-2-one 
• 89538-71-6 1-methyl-3-p-tolyl-propylamine 
• 77651-25-3 3,4-dibromo-4-p-tolyl-butan-2-one 
• 39777-55-4 bis(4-methylstyryl)ketone 
• 93298-17-0 4,4-di-p-tolylbutan-2-one 
• 130028-17-0 (E)-4-p-Tolyl-but-3-enoic acid methyl ester 
• 143111-92-6 (E)-5-Diethylamino-1-p-tolyl-pent-1-en-3-one; hydrobromide 
• 143111-90-4 (E)-5-Dimethylamino-1-p-tolyl-pent-1-en-3-one; hydrobromide 
• 97481-57-7 6-Amino-1,3-dimethyl-5-[(E)-1-methyl-3-p-tolyl-prop-2-en-(Z)-ylideneamino]-1H-pyrimidine-2,4-dione 
• 93626-90-5 1,3-dimethyl-5-p-tolyl-2-aza-1-oxapentadiene 
• 61888-37-7 5-(4-methylphenyl)-1,3-cyclohexanedione 
• 54064-35-6 1-(2-(p-tolyl)cyclopropyl)ethanone 

Relevant articles and documents

Green sustainable approach for carbon–carbon bond-forming reactions using FeNPs/DETA@rGO nano-catalyst

We have fabricated eccentric highly persuasive bifunctional FeNPs/DETA@rGO (where DETA = diethylenetriamine) nano-catalyst with a dual activation mechanism by presenting aliphatic amine on the basal and/or edges sites offering a base characteristic and Fe

8-Hydroxyquinolin-2(1H)-one analogues as potential β2-agonists: Design, synthesis and activity study

β2-Agonists that bind to plasmalemmal β2-adrenoceptors causing cAMP accumulation are widely used as bronchodilators in chronic respiratory diseases. Here, we designed and synthesized a group of 8-hydroxyquinolin-2(1H)-one analogues and studied their β2-agonistic activities with a cellular cAMP assay. Compounds B05 and C08 were identified as potent (EC50 2-agonists among the compounds tested. They behaved as partial β2-agonists in non-overexpressed HEK293 cells, and possessed rapid smooth muscle relaxant actions and long duration of action in isolated guinea pig tracheal strip preparations. In summary, B05 and C08 are β2-agonists with potential applicability in chronic respiratory diseases.

PQQ-dependent Dehydrogenase Enables One-pot Bi-enzymatic Enantio-convergent Biocatalytic Amination of Racemic sec-Allylic Alcohols

The asymmetric amination of secondary racemic allylic alcohols bears several challenges like the reactivity of the bi-functional substrate/product as well as of the α,β-unsaturated ketone intermediate in an oxidation-reductive amination sequence. Heading for a biocatalytic amination cascade with a minimal number of enzymes, an oxidation step was implemented relying on a single PQQ-dependent dehydrogenase with low enantioselectivity. This enzyme allowed the oxidation of both enantiomers at the expense of iron(III) as oxidant. The stereoselective amination of the α,β-unsaturated ketone intermediate was achieved with transaminases using 1-phenylethylamine as formal reducing agent as well as nitrogen source. Choosing an appropriate transaminase, either the (R)- or (S)-enantiomer was obtained in optically pure form (>98 % ee). The enantio-convergent amination of the racemic allylic alcohols to one single allylic amine enantiomer was achieved in one pot in a sequential cascade.