68047-07-4

Basic information

• Product Name: 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone
• Synonyms: 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone;4''-[2-(DIMETHYLAMINO)ETHOXY]-2-PHENYLBUTYROPHENONE;1-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)-2-PHENYL BUTANONE DMA DIPONE;1-Butanone, 1-[4-[2-(diMethylaMino)ethoxy]phenyl]-2-phenyl-;1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butanone;Tamoxifen EP Impurity G
• CAS NO: 68047-07-4
• Molecular Formula: C₂₀H₂₅NO₂
• Molecular Weight: 311.42
• Mol File: 68047-07-4.mol

Chemical Properties

• Boiling Point: 442.371°C at 760 mmHg
• Flash Point: 221.338°C
• Appearance: /
• Density: 1.051g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.55
• CAS DataBase Reference: 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone(68047-07-4)
• EPA Substance Registry System: 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone(68047-07-4)

Safety Data

• Hazardous Substances Data: 68047-07-4(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone is used as a chemical intermediate for the synthesis of more complex molecules in the chemical industry. Its unique structure, which includes both aromatic and amine groups, makes it a valuable building block for the creation of pharmaceuticals, agrochemicals, or other specialty chemicals.
Used in Research and Development:
In the scientific community, 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone is utilized as a research compound to study its reactivity and potential applications in various fields. Its presence in chemical reactions can provide insights into new reaction pathways or mechanisms, contributing to the advancement of chemical knowledge.
Used in Material Science:
1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone is used as a component in the development of new materials with specific properties. Its chemical structure may contribute to the formation of novel polymers, coatings, or other materials with tailored characteristics for use in various industries, such as electronics or automotive.
Used in Pharmaceutical Development:
Although detailed information on its uses is limited, 1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone may be employed as a starting material or a key intermediate in the synthesis of new pharmaceutical compounds. Its chemical versatility could potentially lead to the discovery of new drugs with unique therapeutic properties.

InChI:InChI=1/C20H25NO2/c1-4-19(16-8-6-5-7-9-16)20(22)17-10-12-18(13-11-17)23-15-14-21(2)3/h5-13,19H,4,14-15H2,1-3H3

Upstream product

• 6966-21-8 1-(4'-hydroxyphenyl)-2-phenyl-n-butane-1-one 
• 107-99-3 2-(dimethylamino)ethyl chloride 
• 103628-22-4 1--2-phenyl-butan-1-one 
• 124-40-3 dimethyl amine 
• 108-95-2 phenol 
• 622-86-6 2-chloroethoxybenzene 
• 78423-10-6 1-(4-methoxyphenyl)-2-phenylbutan-1-one 
• 15917-62-1 1-[4-(2-bromo-ethoxy)-phenyl]-2-phenyl-1-butanone 
• 90-27-7 2-Phenylbutyric acid 

Downstream Products

• 748-97-0 1-(4-(2-(dimethylamino)ethoxy)phenyl)-1,2-diphenylbutan-1-ol 
• 97150-94-2 1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-1-[2-(tetrahydro-pyran-2-yloxy)-phenyl]-butan-1-ol 
• 83647-26-1 1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-1-[3-(tetrahydro-pyran-2-yloxy)-phenyl]-butan-1-ol 
• 748-97-0 (1S,2R)-1-[4-(2-Dimethylamino-ethoxy)-phenyl]-1,2-diphenyl-butan-1-ol 
• 97151-09-2 1-[4-(2-Dimethylamino-ethoxy)-phenyl]-1-[2-methyl-4-(tetrahydro-pyran-2-yloxy)-phenyl]-2-phenyl-butan-1-ol 
• 97170-42-8 1-[2,4-Bis-(tetrahydro-pyran-2-yloxy)-phenyl]-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-butan-1-ol 
• 142733-50-4 (E)-1-bromo-1-(4-dimethylaminoethoxyphenyl)-2-phenyl-1-butene 
• 10540-29-1 tamoxifen 
• 121887-45-4 4-(Hydroxymethyl)tamoxifen 
• 121887-44-3 4-Formyltamoxifen 
• 121887-46-5 2-<4-<1-<4-<2-(dimethylamino)ethoxy>phenyl>-2-phenylbut-1-enyl>phenyl>oxirane 
• 121887-42-1 bis<4-<1-<4-<2-(dimethylamino)ethoxy>phenyl>-2-phenylbut-1-enyl>phenyl> disulfide 
• 116057-69-3 trans-4-Bromotamoxifen 
• 116057-71-7 cis-4-Bromotamoxifen 

Relevant articles and documents

Novel compounds that reverse the disease phenotype in Type 2 Gaucher disease patient-derived cells

Gaucher disease (GD) results from inherited mutations in the lysosomal enzyme β-glucocerobrosidase (GCase). Currently available treatment options for Type 1 GD are not efficacious for treating neuronopathic Type 2 and 3 GD due to their inability to cross the blood-brain barrier. In an effort to identify small molecules which could be optimized for CNS penetration we identified tamoxifen from a high throughput phenotypic screen on Type 2 GD patient-derived fibroblasts which reversed the disease phenotype. Structure activity studies around this scaffold led to novel molecules that displayed improved potency, efficacy and reduced estrogenic/antiestrogenic activity compared to the original hits. Here we present the design, synthesis and structure activity relationships that led to the lead molecule Compound 31.

Process for preparing acylaromatic compounds

This invention provides a process for preparing acylaromatics comprising reacting an aromatic compound with a carboxylic acid in the presence of a reaction medium comprising polyphosphoric acid and a strong protic acid. In one embodiment, the invention provides a process for preparing a para-acyl phenoxyethylamine comprising the steps of reacting a 2-phenoxyethyl compound bearing a leaving group on the ethyl 1-position with a carboxylic acid in the presence of a reaction medium comprising polyphosphoric acid and a strong protic acid, to form apara-acyl phenoxyethyl intermediate bearing the leaving group; and reacting the para-acyl phenoxyethyl intermediate with an amine that substitutes for the leaving group to form the para-acyl phenoxyethylamine.

The Use of the Perfluorotolyl Protecting Group in the Synthesis of Pure Z and E Isomers of 4-Hydroxytamoxifen -1-(4-hydroxyphenyl)-2-phenyl-1-butene>

The perfluorotolyl protecting group has been used in the synthesis of pure Z and E isomers of 4-hydroxytamoxifen (4a), a potent metabolite of the anticancer drug, tamoxifen (1a). 4-(Perfluorotolyloxy)phenyl magnesium bromide underwent addition to the carbonyl group of the easily prepared versatile ketone, 1--2-phenyl-1-butanone (7), without affecting the chloroethoxy group.Acid catalysed dehydration of the resulting carbinol gave a 1:1 mixture of isomeric ethers, (6a) and (6b), that were easily separated by chromatography and respectively converted to the Z (4a) and E (4b) isomers of 4-hydroxytamoxifen.The property of the perfluorotolyl function in enabling the separation of geometrical isomers is attributed to a combination of its lipophilicity and electron withdrawal.