68751-57-5

Basic information

• Product Name: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol
• Synonyms: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol;(2-(BroMoMethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)Methanol
• CAS NO: 68751-57-5
• Molecular Formula: C₁₁H₁₁BrCl₂O₃
• Molecular Weight: 342.01324
• EINECS: 272-139-7
• Mol File: 68751-57-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 429.5°Cat760mmHg
• Flash Point: 213.6°C
• Appearance: /
• Density: 1.627g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 14.20±0.10(Predicted)
• CAS DataBase Reference: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol(68751-57-5)
• EPA Substance Registry System: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol(68751-57-5)

Safety Data

• Hazardous Substances Data: 68751-57-5(Hazardous Substances Data)

Usage

Chemical Properties

Light Yellow Oil

InChI:InChI=1/C11H11BrCl2O3/c12-6-11(16-5-8(4-15)17-11)9-2-1-7(13)3-10(9)14/h1-3,8,15H,4-6H2

Upstream product

• 172032-21-2 (2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl)methanol 
• 2234-16-4 1-(2,4-dichlorophenyl)ethan-1-one 
• 56-81-5 glycerol 
• 61397-56-6 (+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate 

Downstream Products

• 331949-30-5 2-bromomethyl-2-(2,4-dichlorophenyl)-4-phenylcarbonyloxymethyl-1,3-dioxolane 
• 61397-56-6 (+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate 
• 61397-56-6 trans-[2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate 
• 512791-61-6 cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol 
• 61397-58-8 cis-2-(2,4-Dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol 
• 85650-50-6 cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate 
• 70894-66-5 Benzoic acid (2R,4R)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester 
• 67914-84-5 Benzoic acid (2R,4R)-2-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester 
• 67914-85-6 cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol 

Relevant articles and documents

A kang Zuolei key intermediate cis-brominated esters synthesis method

The invention discloses a new synthetic method for key intermediate cis-bromo-ester of conazole medicines, and the method is a one-pot reaction method. The method comprises: dissolving 2,4-dichloroacetophenone and glycerin in a solvent, utilizing a bromination reagent to perform bromination on methyl nearby keto carbonyl in the presence of a catalyst, and also realizing ketalization of carbonyl and glycerin, so as to realize one pot reaction of ketalization and bromination; after the solution of bromo-ketal is obtained, directly applying the solution to reaction of bromo-ketal hydroxyl and benzoyl chloride, so as to finally obtain a bromo-ester mixture with a relatively high cis-trans ratio; and using a known method to perform resolution and recrystallization on the cis and trans bromo-esters, so as to obtain the cis-bromo-ester with a relatively high yield. The method is simple has the characteristics of simple operation, high safety, low cost and less pollution, and is a technological route suitable for industrialization.

Antifungal azole derivatives having a fluorinated vinyl group and process for preparing same

An antifungal compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein: X is CH or N; Y is O, R1and R2are each independently F or Cl; R3is a thiophenyl, naphthyl, or phenyl group, the phenyl group being optionally substituted with one or more substituents selected from the group consisting of C1-4alkyl, C1-4haloalkyl, C1-4alkoxy, methylenedioxy and halogen; and R4is H or trifluoromethyl.

Synthesis and 13C NMR Spectra of cis- and trans-methyl>>-1,3-dioxolane-4-methanols

Syntheses and 13C nmr spectra of a number of cis and trans 2-(haloaryl)-2--4-(hydroxymethyl)-1,3-dioxolanes are described.The haloaryl groups are 2,4-dichloro, 2,4-difluoro-, 4-chloro- and 4-bromophenyl.In these series, some of the cis compounds become available through crystalline bromo benzoates 5.Separations of some trans isomers are achieved through fractional crystallizations of imidazolyl benzoate nitrates 6.Stereochemical assignments are based primarily on one major 13C chemical shift difference, namely that of C-4 of the 1,3-dioxolane ring, the chemical shift of the trans isomers being 1.0-2.5 ppm downfield from that of the cis isomers.