57991-54-5

Basic information

• Product Name: 2-(METHOXYMETHYL)BENZONITRILE
• Synonyms: 2-(METHOXYMETHYL)BENZONITRILE
• CAS NO: 57991-54-5
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17386
• Mol File: 57991-54-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 222.5°C at 760 mmHg
• Flash Point: 91.4°C
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.52
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-(METHOXYMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(METHOXYMETHYL)BENZONITRILE(57991-54-5)
• EPA Substance Registry System: 2-(METHOXYMETHYL)BENZONITRILE(57991-54-5)

Safety Data

• Hazardous Substances Data: 57991-54-5(Hazardous Substances Data)

Usage

Physical state

Clear, colorless to pale yellow liquid

Odor

Strong and distinctive

Primary use

Intermediate in the production of other chemicals (pharmaceuticals, agrochemicals)

Secondary use

Building block in the synthesis of fragrances, dyes, and other organic compounds

Potential applications

Development of new materials, reagent in organic synthesis

Safety precautions

Harmful if swallowed or inhaled, causes irritation to skin and eyes

InChI:InChI=1/C9H9NO/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5H,7H2,1H3

Upstream product

• 124-41-4 sodium methylate 
• 612-13-5 2-cyanobenzyl chloride 
• 67-56-1 methanol 
• 22115-41-9 2-(bromomethyl)benzonitrile 
• 52711-30-5 1-bromo-2-(methoxymethyl)benzene 

Downstream Products

• 87-41-2 2-benzofuran-1(3H)-one 
• 88550-19-0 benzoic acid 2-methoxy-methyl ester 
• 88032-03-5 1-[2-(methoxymethyl)phenyl]methanamine 
• 408538-58-9 2-methoxymethyl-benzoic acid amide 
• 106020-70-6 2-[(methoxymethyl)methyl]benzaldehyde 
• 5697-85-8 2-(2-phenylethyl)aniline 
• 54538-00-0 2-(naphthalen-1-ylmethyl)aniline 
• 54538-01-1 2-[2]naphthylmethyl-aniline 
• 100058-55-7 2-isobutyl benzoic acid 
• 28059-64-5 2-benzylaniline 
• 859913-95-4 2-(2,4,6-trimethyl-benzyl)-aniline 
• 71182-59-7 2-isobutylaniline 
• 855274-94-1 1-isobutyl-2-iodo-benzene 
• 62723-78-8 2-methoxymethylaniline 

Relevant articles and documents

2-substituted parazoleamino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof

The invention relates to a series of new compounds as a JAK inhibitor, as well as compositions and applications thereof, and particularly provides a series of compounds (I) that have a strong JAK inhibiting activity, or stereisomers, geometrical isomers, tautomers, pharmaceutically acceptable salts, prodrugs, metabolites, isotope derivatives, and solvates, as well as medicine compositions comprising such compounds. The invention also discloses applications of the compounds or the medicine compositions in preparation of a medicine, which is used for treatment of autoimmune diseases or cancer.

Quantitative structure-activity relationships of 2,4-diamino-5-(2-X- benzyl)pyrimidines versus bacterial and avian dihydrofolate reductase

Quantitative structure-activity relationships (QSAR) have been formulated for a set of 15 2,4-diamino-5-(2-X-benzyl)pyrimidines versus dihydrofolate reductase from Lactobacillus casei and chicken liver. QSARs were also developed for comprehensive data sets containing mono-, di-, and trisubstituted benzyl derivatives. Particular emphasis was placed on the role played by ortho substituents in the overall binding process and subsequent inhibition of the catalytic process in both the prokaryotic and eucaryotic DHFRs. Comparisons between the two QSARs reveal subtle differences at specific positions which can be optimized to design more selective antibacterial agents.