7471-86-5

Basic information

• Product Name: Benzenecarboximidic acid methyl ester
• Synonyms: Benzenecarboximidic acid methyl ester;Benzenecarboximidic Acid Methyl Ester(WXC04573)
• CAS NO: 7471-86-5
• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.16316
• Mol File: 7471-86-5.mol
• Article Data: 24

Chemical Properties

• Boiling Point: 171.1 °C at 760 mmHg
• Flash Point: 57.3 °C
• Appearance: /
• Density: 1 g/cm³
• Vapor Pressure: 1.89mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: Benzenecarboximidic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenecarboximidic acid methyl ester(7471-86-5)
• EPA Substance Registry System: Benzenecarboximidic acid methyl ester(7471-86-5)

Safety Data

• Hazardous Substances Data: 7471-86-5(Hazardous Substances Data)

Usage

Description

Benzenecarboximidic acid methyl ester, also known as methyl benzimidate, is a chemical compound with the molecular formula C9H9NO2. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agricultural chemicals. Benzenecarboximidic acid methyl ester has been identified as a potential mutagen and is known to have toxic effects on aquatic organisms, necessitating careful handling and adherence to proper safety procedures.

Uses

Used in Pharmaceutical Industry:
Benzenecarboximidic acid methyl ester is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its role in the production of medications is crucial, as it aids in the development of new drugs and contributes to the advancement of medical treatments.
Used in Agricultural Chemical Industry:
In the agricultural sector, Benzenecarboximidic acid methyl ester serves as an intermediate in the synthesis of agricultural chemicals. It plays a significant part in creating products that help improve crop yields, protect plants from pests, and ensure a stable food supply.

InChI:InChI=1/C8H9NO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3/b9-8-

Upstream product

• 60-29-7 diethyl ether 
• 87457-81-6 benzamide; silver-salt 
• 74-88-4 methyl iodide 
• 100-47-0 benzonitrile 
• 5873-90-5 methyl benzimidate hydrochloride 
• 873-67-6 benzonitrile oxide 
• 698-16-8 benzohydroximoyl chloride 
• 932-90-1 Benzaldoxime 
• 127700-29-2 α-azidobenzyl methyl ether 
• 78488-67-2 methyl N-(phenyldichloroseleno)benzimidate 
• 67-56-1 methanol 
• 55-21-0 benzamide 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 101934-61-6 N-(Methoxyphenylmethylen)carbamidsaeure-ethylester 
• 670-96-2 2-Phenylimidazole 
• 55-21-0 benzamide 
• 877-39-4 4-methyl-2-phenyloxazole 
• 716-79-0 2-phenyl-1H-benzoimidazole 
• 1022-45-3 2-phenyl-4(3H)-quinazolinone 
• 1022-45-3 2-phenyl-1,4-dihydroquinazolin-4-one 
• 32282-51-2 5-methyl-2-phenyl-3,5-dihydro-imidazol-4-one 
• 79893-84-8 N-(α-methoxy-benzylidene)-DL-alanine methyl ester 
• 77335-93-4 ethyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate 
• 61151-96-0 ethyl 5-methyl-2-phenyloxazole-4-carboxylate 
• 88070-48-8 N-methylbenzamide 
• 493-77-6 2,4,6-triphenyl-1,3,5-triazine 
• 100-47-0 benzonitrile 

Relevant articles and documents

Regioselective synthesis of a new [1,2,3]-triazoles directly from imidates

A one pot synthetic approach to the novel [1,2,3]-triazoles system, by 1,3-dipolar cycloaddition of 2-diazopropane to the imidates 2, is described. The structures of the obtained adducts have been assigned by means of spectroscopic measurements.

Reactions of 1,2,4-Oxadiazole[4,5-a]piridinium Salts with Alcohols: the Synthesis of Alkoxybutadienyl 1,2,4-Oxadiazoles

1,2,4-Oxadiazole[4,5-a]piridinium salts add alcohols and alkoxides to undergo electrocyclic ring opening affording alkoxybutadienyl 1,2,4-oxadiazole derivatives. The pyridinium salts represent a special class of Zincke salts that are prone to rearrange to give alkoxybutadienyl 1,2,4-oxadiazoles when treated with suitable nucleophiles or, alternatively, to give pyridones in the presence of bicarbonate. The pivotal tuning of the experimental conditions leads to a straightforward synthesis of valuable 1,2,4-oxadiazole derivatives. The mechanism is also discussed in the light of previous observations.

Flow rhodaelectro-catalyzed alkyne annulations by versatile C-H Activation: Mechanistic support for rhodium(III/IV)

A flow-metallaelectro-catalyzed C-H activation was realized in terms of robust rhodaelectro-catalyzed alkyne annulations. To this end, a modular electro-flow cell with a porous graphite felt anode was designed to ensure efficient turnover. Thereby, a variety of C-H/N-H functionalizations proved amenable for alkyne annulations with high levels of regioselectivity and functional group tolerance, viable in both an inter- or intramolecular manner. The electro-flow C-H activation allowed easy scale up, while in-operando kinetic analysis was accomplished by online flow-NMR spectroscopy. Mechanistic studies suggest an oxidatively induced reductive elimination pathway on rhodium(III) in an electrocatalytic regime.