112579-43-8

Basic information

• Product Name: 3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID
• Synonyms: TIMTEC-BB SBB010907;3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID;AKOS BBS-00000175;IFLAB-BB F1371-0001;3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZOFURAN-2-CARBOXYLIC ACID
• CAS NO: 112579-43-8
• Molecular Formula: C10H10O4
• Molecular Weight: 194.18
• Mol File: 112579-43-8.mol

Chemical Properties

• Boiling Point: 410.0±45.0 °C(Predicted)
• Appearance: /
• Density: 1.345±0.06 g/cm3(Predicted)
• PKA: 3.12±0.20(Predicted)
• CAS DataBase Reference: 3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID(112579-43-8)
• EPA Substance Registry System: 3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID(112579-43-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 112579-43-8(Hazardous Substances Data)

Upstream product

• 504-02-9 1,3-cylohexanedione 
• 108993-84-6 3-methyl-4-oxo-4,5,6,7-tetrahydrofuran-2-carboxylic acid ethyl ester 

Relevant articles and documents

Diversity-Oriented Synthesis of Natural-Product-like Libraries Containing a 3-Methylbenzofuran Moiety for the Discovery of New Chemical Elicitors

Natural products are a major source of biological molecules. The 3-methylfuran scaffold is found in a variety of plant secondary metabolite chemical elicitors that confer host-plant resistance against insect pests. Herein, the diversity-oriented synthesis of a natural-product-like library is reported, in which the 3-methylfuran core is fused in an angular attachment to six common natural product scaffolds—coumarin, chalcone, flavone, flavonol, isoflavone and isoquinolinone. The structural diversity of this library is assessed computationally using cheminformatic analysis. Phenotypic high-throughput screening of β-glucuronidase activity uncovers several hits. Further in vivo screening confirms that these hits can induce resistance in rice to nymphs of the brown planthopper Nilaparvata lugens. This work validates the combination of diversity-oriented synthesis and high-throughput screening of β-glucuronidase activity as a strategy for discovering new chemical elicitors.

Substituted benzofuran hydrazone derivative and preparation method thereof

The invention relates to the field of medical chemistry, and aims at providing a substituted benzofuran hydrazone derivative and a preparation method thereof. The product has a structure as shown in a formula (I), wherein B ring is selected from phenyl, furyl, thienyl and naphthyl; and R1, R2 and R3 are independently selected from hydrogen atoms, halogen, hydroxy, alkyl chain of C1-C7, alkoxy of C1-C7, nitryl or cyan. The benzofuran hydrazone derivative is a natural furan hydrazone derivative with a new frame, has potential medicinal activity; and the preparation of the compound can be used for supporting researches of benzofuran hydrazone medicinal activity. The preparation method is simple and easily available in steps, and has an important meaning for industrial production.

Benzofuran fluoroflavanone derivative and preparation method thereof

The present invention relates to the field of pharmaceutical chemistry. A purpose of the present invention is to provide a benzofuran fluoroflavanone derivative and a preparation method thereof, wherein the product has a structure represented by a formula (I), the ring B is selected from phenyl or furyl, and R1, R2 and R3 are independently and respectively selected from hydrogen atom, halogen, cyano, nitro, a C1-C7 alkyl chain and C1-C7 alkoxy. According to the present invention, the benzofuran fluoroflavanone derivative is a class of the benzofuran flavone analogs having the new skeleton, and has potential pharmacological activity; the preparation of the compound can provide the support for the research of the pharmacological activity of the benzofuran flavone; and the preparation method has advantages of simple step and low loss rate, is the completely-new benzofuran flavone derivative synthesis route from the non-aromatic raw material, and provides important significance for the industrial production. The formula (I) is defined in the specification.

Furan flavone derivative and preparation method thereof

The invention relates to the field of medicine, and aims to provide a furan flavone derivative and a preparation method thereof. The furan flavonoid derivative is a furan flavone derivative having a furan ring substituted by methyl; the preparation method of the furan flavone derivative comprises the steps: uniformly dispersing two compounds defined in the specification and a weak base into a reaction solvent a, to obtain a raw material mixture; then carrying out a reaction of the raw material mixture at the temperature of 110 DEG C to 130 DEG C for 1 hour to 6 hours, and steaming to remove the reaction solvent, to obtain a crude product; and recrystallizing the crude product with ethanol, to obtain the furan flavone derivative. The furan flavone derivative is a natural furan flavone analogue having a novel skeleton, and has potential pharmaceutical activity; the preparation of the compound can provide a support for the pharmaceutical activity research on furan flavones, and the preparation method is simple in steps and low in loss rate, and has important significance for industrialized production.

Substituted furan isoflavone derivatives and its preparation method (by machine translation)

The present invention relates to the field of medicinal chemistry, and aims to provide a substituted furan isoflavone derivatives and its preparation method. The substituted furan isoflavone derivatives of formula (I) has the structure as illustrated, wherein R1 , R2 Each independently selected from hydrogen atom, methyl, methoxy or halogen. The product is a kind of has a new skeleton of natural furan isoflavone analogs, with potential pharmaceutical activity, the compounds of preparation can be furyl isoflavone pharmaceutical active research provide support; its preparation method step is simple, low loss rate. For the industrial production of important significance. (by machine translation)

Substituted furan flavonol derivative and preparation method thereof

The invention relates to the field of medical chemistry, and aims at providing a substituted furan flavonol derivative and a preparation method thereof. The substituted furan flavonol derivative has a structure represented by formula (II) shown in the des

Substituted furan isoquinolone derivative and preparation method thereof

The invention relates to the field of medical chemistry, and aims at providing a substituted furan flavonol derivative and a preparation method thereof. The substituted furan flavonol derivative has a structure represented by formula (I) shown in the description; and in the formula (I), B ring is selected from a phenyl group or a furyl group; and R1, R2 and R3 are respectively independently selected from the hydrogen atom, a hydroxyl group, a methoxy group, a dimethylamino group, a nitro group and a cyan group. The above product is a new skeleton natural furan isoquinolone analog and has potential drug activity, and the preparation method of the compound provides support for the drug activity researches of furan isoquinolones. The preparation method of the derivative has the advantages of simple steps and easiness in obtaining, and is of great significance to industrial production.