80407-68-7

Basic information

• Product Name: 3,4-Bis(2-methoxyethoxy)benzonitrile
• Synonyms: 3,4-Bis(2-methoxyethoxy)benzonitrile
• CAS NO: 80407-68-7
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251
• EINECS: 1308068-626-2
• Mol File: 80407-68-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 382℃
• Flash Point: 151℃
• Appearance: /
• Density: 1.12
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3,4-Bis(2-methoxyethoxy)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Bis(2-methoxyethoxy)benzonitrile(80407-68-7)
• EPA Substance Registry System: 3,4-Bis(2-methoxyethoxy)benzonitrile(80407-68-7)

Safety Data

• Hazardous Substances Data: 80407-68-7(Hazardous Substances Data)

Usage

General Description

3,4-Bis(2-methoxyethoxy)benzonitrile is a chemical compound formed by the substitution of two hydroxyl groups of benzonitrile with two 2-methoxyethoxy groups. This results in a white powder with a molecular formula of C16H19NO4 and a molecular weight of 289.33 g/mol. It is primarily used as a raw material or intermediate in the production of other chemicals and pharmaceuticals. 3,4-Bis(2-methoxyethoxy)benzonitrile is also commonly used as a solvent and in organic synthesis due to its ability to dissolve a wide range of materials. Additionally, it has been studied for its potential applications in electrochemical devices and as an electrolyte additive due to its high stability and low volatility.

Upstream product

• 1006377-63-4 C₁₃H₁₉NO₅ 
• 80407-64-3 3,4-bis(2-methoxyethoxy)benzaldehyde 
• 139-85-5 3,4-dihydroxybenzaldehyde 
• 1418289-91-4 3,4-bis(2-methoxyethoxy)-benzamide 
• 819813-71-3 3,4-bis(2-methoxyethoxy)-benzoic acid 
• 99-50-3 3,4-Dihydroxybenzoic acid 
• 627-42-9 2-chloroethyl methyl ether 
• 17345-61-8 3,4-dihydroxybenzonitrile 
• 121-33-5 vanillin 
• 4421-08-3 3-methoxy-4-hydroxybenzonitrile 

Downstream Products

• 236750-65-5 4,5-bis(2-methoxyethoxy)-2-nitrobenzonitrile 
• 179688-29-0 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one 
• 183322-18-1 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline 
• 183319-69-9 erlotinib hydrochloride 
• 950596-58-4 2-amino-4,5-bis-(2-methoxyethoxy)-benzonitrile 
• 950596-59-5 N′-[2-cyano-4,5-{bis(2-methoxyethoxy)phenyl}]-N,N-dimethylformamidine 
• 183321-74-6 erlotinib 
• 1172625-04-5 4,5-bis(2-methoxyethoxy)-2-nitrobenzamide 
• 236750-62-2 2-amino-4,5-bis[(2-methoxy)ethoxy]benzamide 

Relevant articles and documents

HCl·DMPU-assisted one-pot and metal-free conversion of aldehydes to nitriles

We report an efficient HCl·DMPU assisted one-pot conversion of aldehydes into nitriles. The use of HCl·DMPU as both an acidic source as well as a non-nucleophilic base constitutes an environmentally mild alternative for the preparation of nitriles. Our protocol proceeds smoothly without the use of toxic reagents and metal catalysts. Diverse functionalized aromatic, aliphatic and allylic aldehydes incorporating various functional groups were successfully converted to nitriles in excellent to quantitative yields. This protocol is characterized by a broad substrate scope, mild reaction conditions, and high scalability. This journal is

Preparation method of erlotinib hydrochloride intermediate

The invention provides a preparation method of an erlotinib hydrochloride intermediate. The preparation method comprises following steps: removing the methyl of vanillin, performing esterification, converting an aldehyde group into a nitrile group, and carrying out nitration, reduction, hydrolysis, and ring forming reactions. The reaction route is represented in the description. The technology isreasonable, the operation is simple, the cost is low, and the reaction yield is high.

Method for preparing compound

The invention provides a method for preparing a compound as shown in a formula I which is described in the specification. The method comprises a step of contacting a compound as shown in a formula III which is described in the specification or a derivative thereof with a compound as shown in a formula II which is described in the specification so as to obtain the compound as shown in the formula I. In the formulas, R1 and R2 are hydrogen, alkoxy groups or heteroaromatic rings, preferably alkoxy groups; and R is hydrogen, an alkyl group, a phenyl group, a substituted phenyl group or a naphthyl group. The compound as shown in the formula I is a tinib drug intermediate 6,7-disubstituted quinazolinone. According to the method provided in embodiments in the invention, aldoketones are used as cyclization raw materials in replacement of carboxylic acids for preparation of tinib drug intermediate, and since the aldoketones are not corrosive, the method has low requirements on reaction equipment and is more favorable for industrial production.