61397-61-3

Basic information

• Product Name: CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL)METHYL-4-(METHANE SULFONYLOXY)METHYL-1,3-DIOXALANE
• Synonyms: CIS-MESYLATE;CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL)METHYL-4-(METHANE SULFONYLOXY)METHYL-1,3-DIOXALANE;CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXALAN-4-YL]METHYL METHANE SULPHONATE;cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate;CIS-[2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-YL-Methyl Methane)-1,3-Dioxalan-4-YL)Methyl]Methane Sulfonate;CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)METHYL-1,3-DIOXOLAN-4-YL]METHYLMETHANESULPHONATE;CIS-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL-METHYL)-1,3-DIOXALANE-4-YL-METHANOL METHANESULFONATE;cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanolmethanesulfonate
• CAS NO: 61397-61-3
• Molecular Formula: C₁₅H₁₆Cl₂N₂O₅S
• Molecular Weight: 407.27
• EINECS: 262-768-5
• Product Categories: Pharmaceutical Intermediates
• Mol File: 61397-61-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 92-94 °C
• Boiling Point: 624.1 °C at 760 mmHg
• Flash Point: 331.3 °C
• Appearance: /
• Density: 1.52g/cm³
• Vapor Pressure: 8.03E-15mmHg at 25°C
• Refractive Index: 1.626
• PKA: 6.88±0.12(Predicted)
• CAS DataBase Reference: CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL)METHYL-4-(METHANE SULFONYLOXY)METHYL-1,3-DIOXALANE(CAS DataBase Reference)
• NIST Chemistry Reference: CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL)METHYL-4-(METHANE SULFONYLOXY)METHYL-1,3-DIOXALANE(61397-61-3)
• EPA Substance Registry System: CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL)METHYL-4-(METHANE SULFONYLOXY)METHYL-1,3-DIOXALANE(61397-61-3)

Safety Data

• Hazardous Substances Data: 61397-61-3(Hazardous Substances Data)

Usage

General Description

CIS-2-(2,4-Dichlorophenyl)-2-(1H-imidazole-1-yl)methyl-4-(methanesulfonyloxy)methyl-1,3-dioxolane is a complex organic compound which features multiple functional groups. These include two chlorinated phenyl rings, two methylene groups adjoining a dioxalane ring, an imidazole ring and a methanesulfonyloxy group. Despite its complicated structure, no significant information is available about its physical and chemical properties, potential uses, reactive behavior or safety guidelines. Additionally, this compound does not appear to be commercially significant or widely studied, meaning that further research would be necessary to fully understand its characteristics and potential applications.

InChI:InChI=1/C15H16Cl2N2O5S/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17/h2-6,10,12H,7-9H2,1H3/t12-,15+/m0/s1

Upstream product

• 83086-42-4 Benzoic acid (2R,4S)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester; compound with nitric acid 
• 83086-42-4 Benzoic acid (2R,4R)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester; compound with nitric acid 
• 61397-58-8 trans-2-(2,4-Dichlorophenyl)-2-<(1H-imidazol-1-yl)methyl>-1,3-dioxolane-4-methanol 
• 124-63-0 methanesulfonyl chloride 
• 61397-58-8 cis-2-(2,4-Dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol 

Downstream Products

• 59363-98-3 1-[(2R,4S)-2-(2,4-Dichloro-phenyl)-4-phenoxymethyl-[1,3]dioxolan-2-ylmethyl]-1H-imidazole 
• 67914-70-9 1-Formyl-4-<4-<-1,3-dioxolan-4-yl>methylenoxy>phenyl>piperazine 
• 149491-01-0 cis-2-(2,4-dichlorophenyl)-2-<(1H-imidazol-1-yl)methyl>-4-(mercaptomethyl)-1,3-dioxolane 
• 65277-42-1 trans-Ketoconazole 
• 65277-42-1 ketoconazole 
• 67915-53-1 1-Methanesulfonyl-4-<4-<-1,3-dioxolan-4-yl>methylenoxy>phenyl>piperazine 
• 67915-53-1 1-Methanesulfonyl-4-<4-<-1,3-dioxolan-4-yl>methylenoxy>phenyl>piperazine 
• 83086-53-7 cis-<2-(2,4-dichlorophenyl)-2-<(1H-imidazol-1-yl)methyl>-1,3-dioxolan-4-yl>methyl thioacetate 
• 89848-36-2 2-Butyl-4-[4-(4-{4-[(2R,4S)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one 
• 89848-38-4 4-[4-(4-{4-[(2R,4S)-2-(2,4-Dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-isobutyl-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one 
• 89848-35-1 2-Butyl-4-[4-(4-{4-[(2R,4S)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2,4-dihydro-[1,2,4]triazol-3-one 
• 89848-34-0 4-[4-(4-{4-[(2R,4S)-2-(2,4-Dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-isopropyl-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one 
• 89848-39-5 2-Allyl-4-[4-(4-{4-[(2R,4S)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2,4-dihydro-[1,2,4]triazol-3-one 
• 89848-33-9 4-[4-(4-{4-[(2R,4S)-2-(2,4-Dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-isopropyl-2,4-dihydro-[1,2,4]triazol-3-one 

Relevant articles and documents

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.