136823-41-1

Basic information

• Product Name: Methyl (2E)-3-Cyclopentylprop-2-Enoate
• Synonyms: Methyl (2E)-3-Cyclopentylprop-2-Enoate;2-Propenoic acid, 3-cyclopentyl-, methyl ester, (2E)-;Methyl (2E)-3-Cyclopentylprop-2-Enoate(WXC02887)
• CAS NO: 136823-41-1
• Molecular Formula: C₉H₁₄O₂
• Molecular Weight: 154.20626
• Mol File: 136823-41-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 204.7±9.0 °C(Predicted)
• Appearance: /
• Density: 1.066±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Methyl (2E)-3-Cyclopentylprop-2-Enoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl (2E)-3-Cyclopentylprop-2-Enoate(136823-41-1)
• EPA Substance Registry System: Methyl (2E)-3-Cyclopentylprop-2-Enoate(136823-41-1)

Safety Data

• Hazardous Substances Data: 136823-41-1(Hazardous Substances Data)

Usage

General Description

Methyl (2E)-3-cyclopentylprop-2-enoate is a chemical compound with the molecular formula C9H14O2. It belongs to the esters group and is commonly used in the manufacture of flavors and fragrances due to its pleasant, fruity odor. Methyl (2E)-3-Cyclopentylprop-2-Enoate is also used as a synthetic building block in the production of pharmaceuticals and other organic compounds. Methyl (2E)-3-cyclopentylprop-2-enoate is a clear, colorless liquid with a low melting point and boiling point, making it easy to handle and transport. It is important to handle this chemical carefully and follow safety guidelines due to its potential hazards if not properly managed.

Upstream product

• 137-43-9 Cyclopentyl bromide 
• 872-53-7 cyclopentanealdehyde 
• 5927-18-4 trimethyl phosphonoacetate 
• 67-56-1 methanol 
• 5732-89-8 3-cyclopentyl acrylic acid 
• 287-92-3 Cyclopentane 
• 922-67-8 propynoic acid methyl ester 
• 930-51-8 cyclopentylacetylene 
• 124-38-9 carbon dioxide 
• 74-88-4 methyl iodide 

Downstream Products

• 1319734-25-2 C₂₅H₃₇N₃O₃ 
• 1319734-50-3 C₁₅H₂₁NO₃ 
• 941678-49-5 ruxolitinib 
• 1146629-83-5 (R)-3-(4-bromo-1H-pyrazol-1-yl)-3-cyclopentylpropanecarbonitrile 
• 1146629-84-6 (3R)-3-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile 
• 941685-37-6 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile 

Relevant articles and documents

Intermediate of JAK inhibitor, and preparation method thereof

The present invention relates to a novel key intermediate of a JAK inhibitor ruxolitinib, and a preparation method thereof, wherein the chemical name of the intermediate is (R)-3-(4-boric acid-1H-pyrazole-1-yl)-3-cyclopentylpropionitrile. According to the present invention, the new ruxolitinib preparation route is provided, wherein each reaction of the route has the high yield, the total yield ofthe route is high, the purity of the obtained product is good, the post-treatment of the reaction is simple, and column chromatography is not required; by adopting the route, the required raw materials or catalysts and other materials are relatively easy to obtain; and compared to the method in the prior art, the method of the present invention is economical and is suitable for industrial production.

Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5- dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: A highly potent orally available CCR5 selective antagonist

Based on the original spirodiketopiperazine design framework, further optimization of an orally available CCR5 antagonist was undertaken. Structural hybridization of the hydroxylated analog 4 derived from one of the oxidative metabolites and the new orally available non-hydroxylated benzoic acid analog 5 resulted in another potent orally available CCR5 antagonist 6a as a clinical candidate. Full details of a structure-activity relationship (SAR) study and ADME properties are presented.

From Stoichiometry to Catalysis: Electroreductive Coupling of Alkynes and Carbon Dioxide with Nickel-Bipyridine Complexes. Magnesium Ions as the Key for Catalysis

The incorporation of carbon dioxide into nonactivated alkynes catalyzed by electrogenerated nickel-bipyridine complexes affords α,β-unsaturated acids in moderate to good yields.The electrocarboxylation reaction was undertaken on a preparative scale in the presence of a sacrificial magnesium anode: the formation of acids from alkynes is stoichiometric with respect to the nickel complex if performed in a two-compartment cell but can be made catalytic in a single-compartment cell.An intermediate nickelacycle was isolated from the reaction with 4-octyne.The cleavage ofthis metallacycle by magnesium ions is the key step to explain catalysis.