1000895-54-4

Basic information

• Product Name: 5-(3,5-diMethoxyphenyl)-3-oxopentanenitrile
• Synonyms: 5-(3,5-diMethoxyphenyl)-3-oxopentanenitrile;3,5-Dimethoxy-b-oxo-benzenepentanenitrile
• CAS NO: 1000895-54-4
• Molecular Formula: C₁₃H₁₅NO₃
• Molecular Weight: 233
• Mol File: 1000895-54-4.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 374.2±32.0 °C(Predicted)
• Appearance: /
• Density: 1.109±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 9.76±0.10(Predicted)
• CAS DataBase Reference: 5-(3,5-diMethoxyphenyl)-3-oxopentanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(3,5-diMethoxyphenyl)-3-oxopentanenitrile(1000895-54-4)
• EPA Substance Registry System: 5-(3,5-diMethoxyphenyl)-3-oxopentanenitrile(1000895-54-4)

Safety Data

• Hazardous Substances Data: 1000895-54-4(Hazardous Substances Data)

Usage

General Description

5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile is a chemical compound with the molecular formula C13H15NO4. It is a nitrile compound that contains a phenyl group substituted with two methoxy groups, as well as a carbonyl group and a nitrile group. 5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile is often used in organic synthesis as a building block for the preparation of various pharmaceuticals and other organic compounds. It has also been studied for its potential biological activities, including its antibacterial and antifungal properties. Additionally, its structure and reactivity make it a useful intermediate in the synthesis of more complex organic molecules.

Upstream product

• 16909-11-8 3-(3,5-dimethoxyphenyl)acrylic acid 
• 99050-36-9 3-(3,5-dimethoxyphenyl) propionic acid chloride 
• 20767-04-8 (E)-3,5-dimethoxycinnamic acid 
• 717-94-2 3-(3,5-dimethoxyphenyl)propionic acid 
• 42174-79-8 (E)-ethyl 3-(3,5-dimethoxyphenyl)acrylate 
• 7311-34-4 3,5-dimethoxybenzaldehdye 
• 54901-09-6 3-(3,5-dimethoxyphenyl)propionic acid ethyl ester 
• 75-05-8 acetonitrile 

Downstream Products

• 1000895-53-3 3-(3,5-dimethoxyphenylethyl)-1H-pyrazol-5-amine 

Relevant articles and documents

A Naphthalimide-Based ND-O-EAc Photocatalyst for Sulfonation of Alkenes to Access β-Ketosulfones Under Visible Light

The development of facile, efficient, cost-effective, and visible light-driven photocatalysts for organic synthetic chemistry has received increasing attention. This protocol has initially synthesized a naphthalimide-based ND-O-EAc visible light photocatalyst for the sulfonation of alkenes to produce β-ketosulfones. Compared with the current photosynthetic strategies, the newly developed catalytic system has some merits, namely high efficiency, gram-scale preparation of low-cost photocatalyst, no metal contamination, wide substrate scope, and green terminal oxidant of air. Moreover, the prepared photocatalyst of ND-O-EAc is feasible for the sulfonation reactions of androstenones. Importantly, such a photocatalysis strategy can easily realize the scale-up synthesis for β-ketosulfone drugs under the mild conditions up to 90 % yield.

New and convergent synthesis of AZD 4547

A practical and convergent synthetic route of AZD 4547 was developed successfully. The intermediate 5-(3,5-dimethoxyphenylethyl)-1H-pyrazol-3-amine (7) was prepared from 3,5-dimethoxybenzaldehyde through 6 simple steps in 52.3% yield. Another intermediate 4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzoic acid (14) was synthesized from ethyl 4-fluorobenzoate and (2R,6S)-2,6-dimethylpiperazine in 62% yield over 2 steps. Finally, AZD 4547 was obtained from 7 and 14 in 73% yield and 99.1% purity. Purification methods of the intermediates and the final product involved in the route were developed.

Vinyl sulfamido substituted pyrazolyl benzamide compound

The invention provides a vinyl sulfamide substituted pyrazolyl benzamide compound. Specifically, the present invention provides a compound in formula I shown in the specification or a pharmaceuticallyacceptable salt thereof, and a preparation method and use thereof. The compound shown in the formula I has excellent FGFR inhibitory activity and can be used for preventing or treating diseases related to FGFR kinase activity or expression quantity, such as cancer.