57816-01-0

Basic information

• Product Name: Benzenebutanoic acid, 3-methoxy-, ethyl ester
• CAS NO: 57816-01-0
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Mol File: 57816-01-0.mol
• Article Data: 14

Chemical Properties

• CAS DataBase Reference: Benzenebutanoic acid, 3-methoxy-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, 3-methoxy-, ethyl ester(57816-01-0)
• EPA Substance Registry System: Benzenebutanoic acid, 3-methoxy-, ethyl ester(57816-01-0)

Safety Data

• Hazardous Substances Data: 57816-01-0(Hazardous Substances Data)

Upstream product

• 24743-11-1 4-(m-methoxyphenyl)butanoic acid 
• 2969-81-5 Ethyl 4-bromobutyrate 
• 529-28-2 4-iodoanisol 
• 2398-37-0 3-methoxyphenyl bromide 
• 766-85-8 3-methoxy-1-iodobenzene 
• 626-20-0 3-methoxystyrene 
• 1798-09-0 m-methoxyphenylacetic acid 
• 18904-42-2 4-(m-Methoxy-phenyl)-Δ³-butensaeure-ethylester 
• 65292-99-1 2-(3-methoxyphenyl)acetaldehyde 
• 591-31-1 3-methoxy-benzaldehyde 
• 1380511-95-4 ethyl 4-(m-methoxyphenyl)-4-(p-tolyloxythiocarbonyloxy)butanoate 
• 1380511-94-3 ethyl 4-(3-methoxyphenyl)-4-(trimethylsilyloxy)butanoate 
• 151073-69-7 (4-ethoxy-4-oxobutyl)zinc(II) bromide 
• 7425-53-8 ethyl 4-iodobutyrate 

Downstream Products

• 24743-11-1 4-(m-methoxyphenyl)butanoic acid 
• 1431791-22-8 2-diazo-6-(3-methoxyphenyl)-3-oxohexanenitrile 
• 1431791-97-7 6-(3-methoxyphenyl)-3-oxohexanenitrile 
• 1078-19-9 6-methoxy-3,4-dihydro-1(2H)-naphthalenone 
• 13185-18-7 8-methoxy-1-tetralone 
• 591247-26-6 1-[4'-(1,3-dioxolan-2''-yl)phenyl]-4-(3'''-methoxyphenyl)butan-1-ol 
• 591247-29-9 1-[4'-(1,3-dioxolan-2''-yl)phenyl]-4-(3'''-methoxyphenyl)butan-1-one 
• 591247-32-4 1-(4'-formylphenyl)-4-(3''-methoxyphenyl)butan-1-one 
• 91152-86-2 4-(3'-methoxyphenyl)butyraldehyde 

Relevant articles and documents

5-Norbornene-2-carboxylic acid: Another catalytic mediator for Catellani-type reactions

Mediators play a central role in Catellani-type reactions. Herein we reported the discovery of inexpensive 5-norbornene-2-carboxylic acid (N4) as a general catalytic mediator (20 mol%) to facilitate ortho C–H activation and the following C–C bo

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.

Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Chlorides with Primary Alkyl Chlorides

Alkyl chlorides and aryl chlorides are among the most abundant and stable carbon electrophiles. Although their coupling with carbon nucleophiles is well developed, the cross-electrophile coupling of aryl chlorides with alkyl chlorides has remained a chall