2905-54-6

Basic information

• Product Name: METHYL 2,3-DICHLOROBENZOATE
• Synonyms: METHYL 2,3-DICHLOROBENZOATE;2,3-DICHLOROBENZOIC ACID METHYL ESTER;RARECHEM AL BF 0205;2,3-Dichlorobenzoic methylester;Methyl 2,3-dichlorobenzoate,97%;Methyl 2,3-dichlorobenzoate,98+%;Benzoic acid, 2,3-dichloro-, Methyl ester;2,3-dichloro-benzoicacimethylester
• CAS NO: 2905-54-6
• Molecular Formula: C₈H₆Cl₂O₂
• Molecular Weight: 205.04
• Product Categories: Aromatic Esters
• Mol File: 2905-54-6.mol

Chemical Properties

• Melting Point: 33-38 °C
• Boiling Point: 294.45°C (rough estimate)
• Flash Point: 110 °C
• Appearance: /
• Density: 1.36
• Vapor Pressure: 0.00703mmHg at 25°C
• Refractive Index: 1.5537
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: METHYL 2,3-DICHLOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2,3-DICHLOROBENZOATE(2905-54-6)
• EPA Substance Registry System: METHYL 2,3-DICHLOROBENZOATE(2905-54-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• Hazardous Substances Data: 2905-54-6(Hazardous Substances Data)

Usage

Chemical Properties

white crystals

InChI:InChI=1/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3

Upstream product

• 114125-02-9 1,6,7,7-Tetrachlor-cis-bicyclo<4.1.0>hept-3-en-2-ol 
• 50-45-3 2,3-dichlorbenzoic acid 
• 17287-03-5 trimethylsulphonium hydroxide 
• 31273-66-2 ethyl 2,3-dichlorobenzoate 
• 114125-01-8 1,6,7,7-Tetrachlor-2-trimethylsilyloxy-cis-bicyclo<4.1.0>hept-3-en 
• 67-56-1 methanol 
• 95-50-1 1,2-dichloro-benzene 
• 74-88-4 methyl iodide 

Downstream Products

• 191091-39-1 1-(2,3-dichlorophenyl)-1-hydroxy-2-(2-pyridyl)ethylene 
• 662142-37-2 1-(2,3-dichlorophenyl)-1-hydroxy-2-methyl-2-(2-pyridyl)ethylene 
• 662142-36-1 1-(2,3-dichlorophenyl)-1-hydroxy-2-phenyl-2-(2-pyridyl)ethylene 
• 767321-32-4 4-[3-(2,3-dichloro-phenyl)-3-oxo-propionyl]-piperidine-1-carboxylic acid tert-butyl ester 
• 38594-42-2 2,3-dichlorobenzyl alcohol 
• 438197-19-4 2,3‐dichlorobenzoic hydrazide 
• 936220-54-1 2-(2,3-dichloro-phenyl)-[1,3,4]-oxadiazole 

Relevant articles and documents

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The Diels-Alder reaction of donor-substituted 1,3-dienes with tetrachlorocyclopropene leads to novel bicycloheptenes, which on acidic hydrolysis and oxidation yield a new series of chloro-substituted derivatives of tropone by way of elimination of hydrogen chloride concerted with an electrocyclic opening of the three membered ring.

Direct C–H Carboxylation Forming Polyfunctionalized Aromatic Carboxylic Acids by Combined Br?nsted Bases

CO2 fixation into electron-deficient aromatic C–H bonds proceeds with the combined Br?nsted bases LiO-t-Bu and LiO-t-Am/CsF/18-crown-6 (t-Am = CEtMe2) under a CO2 atmosphere to afford a variety of polyfunctionalized aromat

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Pyrazolopyrimidine derivatives as PI3 kinase inhibitors

PI3Kβ selective compounds having the structure

Synthesis, antibacterial activities, and 3d-qsar of sulfone derivatives containing 1, 3, 4-oxadiazole moiety

A series of sulfone derivatives containing 1, 3, 4-oxadiazole moiety were prepared and evaluated for their antibacterial activities by the turbidimeter test. Most compounds inhibited growth of Ralstonia solanacearum (R. solanacearum) from tomato and tobacco bacterial wilt with high potency, among which compounds 5a and 5b exhibited the most potent inhibition against R. solanacearum from tomato and tobacco bacterial wilts with EC50 values of 19.77 and 8.29 μg/mL, respectively. Our results also demonstrated that 5a, 5b, and a number of other compounds were more potent than commercial bactericides Kocide 3000 and Thiodiazole Copper, which inhibited R. solanacearum from tomato bacterial wilt with EC50 values of 93.59 and 99.80 μg/mL and tobacco bacterial wilt with EC50 values of 45.91 and 216.70 μg/mL, respectively. The structure-activity relationship (SAR) of compounds was studied using three-dimensional quantitative structure-activity relationship (3D-QSAR) models created by comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) based on compound bioactivities against tomato and tobacco bacterial wilts. The 3D-QSAR models effectively predicted the correlation between inhibitory activity and steric-electrostatic properties of compounds.

PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS

The present invention relates to compounds of formula (I) in which R1, R2, R3 and n have the meaning given in the specification and also relates to the use of these pyrazolopyrimidine derivatives for the modulation, notably the inhibition of the activity or function of the phosphoinositide 3'OΗ kinase family (hereinafter PI3 kinases), wherein the compounds of formula (I) are described as selective inhibitors of PI3K[beta] activity.

Electroreduction of organic compounds, 36 [1]. Electroreduction of chlorinated methyl benzoates

The preparative electroreduction of the three methyl monochlorobenzoates, the six methyl dichlorobenzoates, and methyl 2,3,4-trichlorobenzoate in different solvent-supporting electrolytes (SSE) was studied. The rate of the dechlorination, which is the main reaction, is dependent on the substitution pattern. Pronounced regioselectivity is therefore observed in case of the oligochloro derivatives. Hydrogenation of the benzene ring and reduction of the methoxycarbonyl group with formation of a hydroxymethyl group are observed as side-reactions. Quantum chemical calculations on the reaction mechanism were performed. The theoretical results are in accordance with the experimental observations.

Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same

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Natural formation of chlorobenzoic acids (CBA) and distinction between PCB-degraded CBA

Mono- and dichlorobenzoic acid (CBA) could be found in samples of remote bog pond water and sediment. The 2,4-CBA always had the highest concentrations. In bog water samples the concentrations ranged between 0.11 and 0.48 μg/l. Besides 2,4-CBA most only 2,5-CBA could be found as dichlorobenzoic acid. In all samples we could detect also trichloroacetic acid (TCAA). The TCAA concentrations correlate with the CBA concentrations. As TCAA is known as a naturally produced organohalogen, this correlation can be seen as an indication to a natural formation of CBA. A confirmation of this presumption is our detection CBA in a reaction of benzoic acid with the chlorinating enzyme chloroperoxidase (CPO).

Pharmacologically active CNS compounds

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