39528-62-6

Basic information

• Product Name: 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE
• Synonyms: 3-(4-tert-Butylphenyl)-3-oxopropanenitrile;4-tert-Butylbenzoylacetonitrile
• CAS NO: 39528-62-6
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.26
• Mol File: 39528-62-6.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 348.5 °C at 760 mmHg
• Flash Point: 164.5 °C
• Appearance: /
• Density: 1.018 g/cm³
• Vapor Pressure: 5.03E-05mmHg at 25°C
• Refractive Index: 1.511
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE(39528-62-6)
• EPA Substance Registry System: 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE(39528-62-6)

Safety Data

• Hazardous Substances Data: 39528-62-6(Hazardous Substances Data)

Usage

General Description

3-(4-tert-butylphenyl)-3-oxopropanenitrile, also known as 4-tert-butylphenylacetyl cyanide, is a chemical compound with the molecular formula C13H15N. This yellow solid is used in the synthesis of pharmaceuticals and agrochemicals. It is also a key intermediate in the production of various organic compounds. 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE is classified as a ketone and nitrile, making it versatile for use in a wide range of chemical reactions. It is important to handle this compound with care as it may be harmful if ingested or inhaled and can cause irritation to the skin and eyes.

InChI:InChI=1/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3

Upstream product

• 75-05-8 acetonitrile 
• 208188-23-2 N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide 
• 123324-71-0 p-tert-butylphenylboronic acid 
• 109-77-3 malononitrile 
• 943-27-1 4'-t-butylacetophenone 
• 773837-37-9 sodium cyanide 
• 30095-47-7 2-bromo-1-(4-(tert-butyl)phenyl)ethanone 
• 5406-57-5 ethyl 4-tert-butylbenzoate 
• 18293-53-3 2-trimethylsilylacetonitrile 
• 35779-04-5 1-tert-butyl-4-iodobenzene 
• 13939-06-5 molybdenum hexacarbonyl 
• 26537-19-9 methyl 4-tert-butylbenzoate 
• 71804-44-9 2-isocyanoacetic acid 
• 1710-98-1 p-tert-butyl benzoyl chloride 

Downstream Products

• 1186387-09-6 C₂₀H₁₉N₃O 
• 312496-98-3 3‐(4‐tert‐butylphenyl)‐1‐phenyl‐1H‐pyrazol‐5‐amine 
• 1312014-63-3 3,5-bis(4-tert-butylphenyl)-4-(2-chlorophenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine 
• 1312014-64-4 4-(2-bromophenyl)-3,5-bis(4-tert-butylphenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine 
• 1312014-67-7 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene 

Relevant articles and documents

Structure-activity relationships of 2-substituted phenyl-N-phenyl-2-oxoacetohydrazonoyl cyanides as novel antagonists of exchange proteins directly activated by cAMP (EPACs)

Exchange proteins directly activated by cAMP (EPACs) are critical cAMP-dependent signaling pathway mediators that play important roles in cancer, diabetes, heart failure, inflammations, infections, neurological disorders and other human diseases. EPAC spe

PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS

The present invention relates to pyrazolo[3,4-b]pyridine compounds. The present invention further relates to methods for inhibiting Plasmodium comprising contacting Plasmodium with pyrazolo[3,4-b]pyridine compounds described herein. Also described herein are methods of treating malaria comprising administering pyrazolo[3,4-b]pyridine compounds to a subject in need thereof.

A Pd-catalyzed asymmetric allylic substitution cascade: Via an asymmetric desymmetrization for the synthesis of bicyclic dihydrofurans

A Pd-catalyzed asymmetric allylic substitution cascade of allylic meso-dicarbonates with 3-oxo-nitriles has been developed for the synthesis of chiral bicyclic dihydrofurans bearing two vicinal carbon stereocenters. The reaction proceeds via an asymmetric desymmetrization process with the desired products being obtained in high yields and with up to 97% ee. The reaction was performed on a gram-scale and the corresponding bicyclic dihydrofurans could undergo several transformations. The methodology provides an efficient synthetic route to biologically active chiral bicyclic dihydrofurans derivatives.