52178-50-4

Basic information

• Product Name: Methyl 3-formylbenzoate
• Synonyms: METHYL M-FORMYLBENZOATE;METHYL 3-FORMYLBENZOATE;3-CARBOMETHOXYBENZALDEHYDE;methyl benzaldehyde-3-carboxylate;Methyl 3-formylbenzoate ,98%;3-(Methoxycarbonyl)benzaldehyde;Methyl 3-forMylbenzoate, 98% 1GR;Methyl 3-forMylbenzoate, 98% 5GR
• CAS NO: 52178-50-4
• Molecular Formula: C₉H₈O₃
• Molecular Weight: 164.16
• EINECS: 1308068-626-2
• Product Categories: Aromatic Aldehydes & Derivatives (substituted);Aldehydes;Alphabetic;Analytical Standards;Analytical/Chromatography;Building Blocks;C9;Carbonyl Compounds;Chemical Synthesis;M;META - METH;Organic Building Blocks
• Mol File: 52178-50-4.mol
• Article Data: 37

Chemical Properties

• Melting Point: 48-52 °C
• Boiling Point: 272.8 °C at 760 mmHg
• Flash Point: 118.2 °C
• Appearance: white crystalline powder
• Density: 1.181 g/cm³
• Vapor Pressure: 0.00596mmHg at 25°C
• Refractive Index: 1.557
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• BRN: 2690668
• CAS DataBase Reference: Methyl 3-formylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 3-formylbenzoate(52178-50-4)
• EPA Substance Registry System: Methyl 3-formylbenzoate(52178-50-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36/37/39-26
• WGK Germany: 3
• F: 10
• Hazardous Substances Data: 52178-50-4(Hazardous Substances Data)

Usage

Description

Methyl 3-formylbenzoate, also known as methyl 3-salicylate, is an organic compound with the chemical formula C8H6O3. It is a white crystalline powder that is derived from the esterification of formylbenzoic acid with methanol. Methyl 3-formylbenzoate is characterized by its distinct chemical properties, which make it suitable for various applications in different industries.

Uses

Used in Medical Applications:
Methyl 3-formylbenzoate is used as a reagent for the detection of amyloid deposits in patients with various forms of amyloidosis. Amyloidosis is a group of rare diseases caused by the abnormal accumulation of amyloid proteins in tissues and organs, leading to progressive organ dysfunction. Methyl 3-formylbenzoate's ability to detect these deposits aids in the diagnosis and monitoring of the disease.
Used in Pharmaceutical Industry:
Methyl 3-formylbenzoate is used as a key intermediate in the synthesis of several bioactive compounds, which have potential applications in the pharmaceutical industry. Some of these compounds include:
1. Meso-tetrakis(3-carboxyphenyl)porphyrin: Methyl 3-formylbenzoate is synthesized through a condensation reaction with pyrrole and has potential applications in the development of new drugs and therapies.
2. Methyl 3-[4-(1-methyl-3-phenylureido)phenylaminomethyl]benzoate: Methyl 3-formylbenzoate exhibits moderate SENP1 protease inhibition activity, which may be useful in the development of treatments for diseases associated with abnormal protein degradation.
3. An N-methyl-sulfonylhydrazone derivative: Methyl 3-formylbenzoate is being investigated as a potential anti-diabetic agent with good plasma stability, which could lead to improved treatment options for patients with diabetes.

InChI:InChI=1/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3

Upstream product

• 13531-48-1 methyl 3-cyanobenzoate 
• 70760-00-8 3-carbomethoxybenzaldiacetate 
• 7664-93-9 sulfuric acid 
• 67-56-1 methanol 
• 626-19-7 Isophthalaldehyde 
• 6018-41-3 methyl coumalate 
• 107-02-8 acrolein 
• 201230-82-2 carbon monoxide 
• 618-91-7 methyl 3-iodo-benzoate 
• 1877-71-0 benzene 1,3-dicarboxylic acid monomethyl ester 
• 99-36-5 1-methoxycarbonyl-3-methylbenzene 
• 1459-93-4 dimethyl Isophthalate 
• 619-21-6 m-formylphenyl benzoic acid 
• 74-88-4 methyl iodide 

Downstream Products

• 102653-97-4 methyl (E)-3-(2-nitrovinyl)benzoate 
• 52178-52-6 3-(2-methyl-5-oxo-oxazol-4-ylidenemethyl)-benzoic acid methyl ester 
• 208450-88-8 3-carbomethoxybenzylidene-3-carbomethoxybenzylamine 
• 203940-17-4 methyl 3-[(E)-2-(7-chloro-2-quinolyl)vinyl]benzoate 
• 675148-38-6 methyl 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]benzoate 
• 373649-12-8 3-(2-nitro-1-hydroxyethyl)-benzoic acid methyl ester 
• 464191-67-1 5-Cyano-6-(3-methoxycarbonylphenyl)-4-methyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carboxylic acid ethyl ester 
• 38383-50-5 methyl 3-ethenylbenzoate 
• 913645-26-8 3-[(S)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)benzotriazol-1-yl-methyl]benzoic acid methyl ester 
• 913722-59-5 (Z)-methyl 3-(2-nitroprop-1-enyl)benzoate 
• 98116-12-2 (E)-3-(3-methoxycarbonylphenyl)acrylic acid 
• 928839-81-0 C₂₄H₂₂ClN₃O₃ 
• 925921-63-7 methyl 3-{2-amino-3-cyano-6-[2-(methoxymethoxy)-phenyl]pyridin-4-yl}benzoate 
• 142423-75-4 methyl m-(hydroxy(phenyl)methyl)benzoate 

Relevant articles and documents

NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES

The present invention relates to novel heteroaryl-triazole and heteroaryl-tetrazole compounds of the general formula (I), in which the structural elements R1, R2, R3, R4 and R5 have the meaning given in the description, to formulations and compositions comprising such compounds and for their use in the control of animal pests including arthropods and insects in plant protection and to their use for control of ectoparasites on animals.

Potassium Poly(Heptazine Imide): Transition Metal-Free Solid-State Triplet Sensitizer in Cascade Energy Transfer and [3+2]-cycloadditions

Polymeric carbon nitride materials have been used in numerous light-to-energy conversion applications ranging from photocatalysis to optoelectronics. For a new application and modelling, we first refined the crystal structure of potassium poly(heptazine imide) (K-PHI)—a benchmark carbon nitride material in photocatalysis—by means of X-ray powder diffraction and transmission electron microscopy. Using the crystal structure of K-PHI, periodic DFT calculations were performed to calculate the density-of-states (DOS) and localize intra band states (IBS). IBS were found to be responsible for the enhanced K-PHI absorption in the near IR region, to serve as electron traps, and to be useful in energy transfer reactions. Once excited with visible light, carbon nitrides, in addition to the direct recombination, can also undergo singlet–triplet intersystem crossing. We utilized the K-PHI centered triplet excited states to trigger a cascade of energy transfer reactions and, in turn, to sensitize, for example, singlet oxygen (1O2) as a starting point to synthesis up to 25 different N-rich heterocycles.

Deoxygenative Deuteration of Carboxylic Acids with D2O

We report a general, practical, and scalable means of preparing deuterated aldehydes from aromatic and aliphatic carboxylic acids with D2O as an inexpensive deuterium source. The use of Ph3P as an O-atom transfer reagent can facilitate the deoxygenation of aromatic acids, while Ph2POEt is a better O-atom transfer reagent for aliphatic acids. The highly precise deoxygenation of complex carboxylic acids makes this protocol promising for late-stage deoxygenative deuteration of natural product derivatives and pharmaceutical compounds.