6731-58-4

Basic information

• Product Name: ethyl 2-cyano-3-phenyl-propanoate
• Synonyms: ethyl 2-cyano-3-phenyl-propanoate;ETHYL 2-CYANO-3-PHENYLPROPIONATE;Nsc20717
• CAS NO: 6731-58-4
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.24
• Mol File: 6731-58-4.mol
• Article Data: 60

Chemical Properties

• Boiling Point: 344.1°C at 760 mmHg
• Flash Point: 163.5°C
• Appearance: /
• Density: 1.095g/cm³
• Vapor Pressure: 6.75E-05mmHg at 25°C
• Refractive Index: 1.515
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: ethyl 2-cyano-3-phenyl-propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-cyano-3-phenyl-propanoate(6731-58-4)
• EPA Substance Registry System: ethyl 2-cyano-3-phenyl-propanoate(6731-58-4)

Safety Data

• Hazardous Substances Data: 6731-58-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H13NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3

Upstream product

• 100-39-0 benzyl bromide 
• 105-56-6 ethyl 2-cyanoacetate 
• 18852-51-2 sodium cyanoacetic acid ethyl ester 
• 100-44-7 benzyl chloride 
• 2025-40-3 ethyl benzylidenecyanoacetate 
• 59803-41-7 3-(2-bromo-phenyl)-2-cyano-propionic acid ethyl ester 
• 14533-87-0 (Z)-ethyl 2-cyano-3-phenylacrylate 
• 1149-23-1 diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 
• 100-51-6 benzyl alcohol 
• 95-54-5 1,2-diamino-benzene 
• 620-05-3 iodomethylbenzene 
• 31124-95-5 ethyl cyanoacetate anion 
• 73062-45-0 N-benzyl(p-toluenesulfonyl)trifluoromethanesulfonimide 
• 66310-10-9 N-benzyl-2,4,6-triphenylpyridinium tetrafluoroborate 

Downstream Products

• 98516-80-4 ethyl 2-formyl-3-phenylpropionate 
• 66102-69-0 2-benzyl-3-amino-1-propanol 
• 5331-42-0 2-cyano-3-phenylpropionic acid 
• 6731-59-5 2-benzyl-2-cyano-pent-4-enoic acid ethyl ester 
• 7216-46-8 2-cyano-3-phenylpropanamide 
• 99033-95-1 2-hydroxyimino-3-phenylpropanoic acid 
• 23515-80-2 5-nitro-3-phenylindole-2-carbonitrile 
• 1252671-69-4 ethyl 2-benzyl-2-cyanobut-3-ynoate 
• 1332524-96-5 (E)-2-benzyl-5-(4-methoxyphenyl)-3-methyl-5-oxopent-2-enenitrile 
• 1332524-94-3 (Z)-2-benzyl-5-(4-methoxyphenyl)-3-methyl-5-oxopent-2-enenitrile 
• 1332524-92-1 (E)-2-benzyl-3-methyl-5-oxo-5-p-tolylpent-2-enenitrile 
• 1332524-90-9 (Z)-2-benzyl-3-methyl-5-oxo-5-p-tolylpent-2-enenitrile 
• 1332524-88-5 (E)-2-benzyl-5-(4-bromophenyl)-3-methyl-5-oxopent-2-enenitrile 
• 1332524-86-3 (Z)-2-benzyl-5-(4-bromophenyl)-3-methyl-5-oxopent-2-enenitrile 

Relevant articles and documents

Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones

The synthesis of functional cyclic nitrones via [3+2] cycloadditions of allenamide-derived nitrosoallenes with carbonyl/nitrile compounds, including ketones, esters, and nitriles, is presented herein. Rapid carbon-carbon, carbon-oxygen, and carbon-nitrogen bond formations were achieved with in situ prepared nitrosoallenes, and densely substituted oxacyclic and carbocyclic nitrones containing tetrasubstituted carbon centers were successfully synthesized. The spirocyclic nitrone products synthesized from cyclic dicarbonyl compounds underwent the unique skeletal rearrangements to cyclic α-ketonitrones.

Direct Cyclopropanation of α-Cyano β-Aryl Alkanes by Light-Mediated Single Electron Transfer Between Donor–Acceptor Pairs

Cyclopropanes are traditionally prepared by the formal [2+1] addition of carbene or radical based C1 units to alkenes. In contrast, the one-pot intermolecular cyclopropanation of alkanes by redox active C1 units has remained unrealised. Herein, we achieve

AlCl3 catalyzed coupling of: N-benzylic sulfonamides with 2-substituted cyanoacetates through carbon-nitrogen bond cleavage

A new cross-coupling reaction of N-benzylic sulfonamides with 2-substituted cyanoacetates for the synthesis of 2-substituted benzylbenzene was reported. In the presence of AlCl3, a broad range of N-benzylic sulfonamides reacted smoothly with 2-substituted cyanoacetates to afford structurally diverse benzylbenzenes in moderate to excellent yields. The conversion could be enlarged to gram-scale efficiently. The practicability of this approach was further manifested in the synthesis of a related bioactive agent with high anti-inflammatory activity.