1235271-20-1

Basic information

• Product Name: Benzenebutanoic acid, 4-(trifluoroMethyl)-, ethyl ester
• Synonyms: Benzenebutanoic acid, 4-(trifluoroMethyl)-, ethyl ester
• CAS NO: 1235271-20-1
• Molecular Formula: C₁₃H₁₅F₃O₂
• Molecular Weight: 260.2522096
• Mol File: 1235271-20-1.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 289.5±40.0 °C(Predicted)
• Appearance: /
• Density: 1.155±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Benzenebutanoic acid, 4-(trifluoroMethyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, 4-(trifluoroMethyl)-, ethyl ester(1235271-20-1)
• EPA Substance Registry System: Benzenebutanoic acid, 4-(trifluoroMethyl)-, ethyl ester(1235271-20-1)

Safety Data

• Hazardous Substances Data: 1235271-20-1(Hazardous Substances Data)

Upstream product

• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 623-51-8 ethyl 2-sulfanylacetate 
• 19493-09-5 Methylenetriphenylphosphorane 
• 939-99-1 4-trifluoromethylbenzyl chloride 
• 140-88-5 ethyl acrylate 
• 623-73-4 diazoacetic acid ethyl ester 
• 402-50-6 1-trifluoromethyl-4-vinyl-benzene 
• 3153-36-4 4-chloro-butyric acid ethyl ester 
• 98-56-6 4-chlorobenzotrifluoride 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 2969-81-5 Ethyl 4-bromobutyrate 

Downstream Products

• 1431791-94-4 3-oxo-6-(4-(trifluoromethyl)phenyl)hexanenitrile 
• 1431791-18-2 2-diazo-3-oxo-6-(4-(trifluoromethyl)phenyl)hexanenitrile 

Relevant articles and documents

Visible-light induced metal-free cascade Wittig/hydroalkylation reactions

Cascade reactions are green and powerful transformations for building multiple carbon-carbon bonds in one step. Through a relay olefination and radical addition process, we were able to develop the cascade Wittig/hydroalkylation reactions induced by visible light. This metal-free radical approach features mild conditions, robustness, and excellent functionality compatibility. It allows access to saturated C3 homologation products directly from aldehydes or ketones. The synthetic utility of this method is demonstrated by a two-step synthesis ofindolizidine 209D.

Structure activity relationship exploration of 5-hydroxy-2-(3-phenylpropyl)chromones as a unique 5-HT2B receptor antagonist scaffold

Antagonists for the serotonin receptor 2B (5-HT2B) have clinical applications towards migraine, anxiety, irritable bowl syndrome, and MDMA abuse; however, few selective 5-HT2B antagonists have been identified. Previous studies from these labs identified a natural product, 5-hydroxy-2-(2-phenylethyl)chromone (5-HPEC, 2) as the first non-nitrogenous ligand for the 5-HT2B receptor. Studies on 5-HPEC optimization led to the identification of 5-hydroxy-2-(3-phenylpropyl)chromone (5-HPPC, 3), which showed a tenfold improvement in binding affinity over 2 at 5-HT2B. This study aimed to further improve receptor pharmacology of this unique scaffold. Guided by molecular modeling studies modifications at the C-3′ and C-4′ positions of 3 were made to probe their effects on ligand binding affinity and efficacy. Among the derivatives synthesized 5-hydroxy-2-(3-(3-cyanophenyl)propyl)chromone (5-HCPC, 3d) showed the most promise with a multifold improvement in binding affinity (pKi = 7.1 ± 0.07) over 3 with retained antagonism.

Preparation method of substituted butyrate derivatives

The invention discloses a preparation method of substituted butyrate derivatives. The method specifically comprises the following steps: by taking compounds shown in a formula 1, a formula 2 and a formula 3 as raw materials, carrying out an illumination reaction process in the presence of a photocatalyst and a hydrogen transfer catalyst to obtain a target compound shown in a formula I through one-step reaction. The invention discloses a free radical-mediated olefin bifunctional reaction without a cyclopropanation intermediate. The reaction can realize a product which can be obtained through cyclopropanation and cyclopropane ring opening processes traditionally in one step. Meanwhile, the preparation method of the compound is simple, uses cheap and easily available compounds as raw materials, and has the beneficial effects of one-step synthesis, mild reaction conditions, fast reaction, low cost, less generated waste, simple and safe operation, high atom economy, high selectivity, extremely wide substrate applicability, high yield and the like.