113770-65-3

Basic information

• Product Name: cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate
• Synonyms: cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate;cis-(±)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate;cis-(∴)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate;CIS-TRITOSYLATE;benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3h)-benzoxazolylidene)-1-propeny;1-[4-[(2RS,4SR)-2-(2,4-dichlorophenyl)-2-[1H-1,2,4-triazol-1-yl)methyl]-1,3-di- oxolan-4-yl]methoxy] tosylate;((2S,4S)-2-((1H-1,2,4-Triazol-1-yl)Methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)Methyl 4-Methylbenzenesulfonate;((2S,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-meth
• CAS NO: 113770-65-3
• Molecular Formula: C20H18Cl2N3O5S-
• Molecular Weight: 484.36
• Product Categories: Pharmaceutical Intermediates
• Mol File: 113770-65-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 657.7±65.0 °C(Predicted)
• Appearance: /
• Density: 1.49
• Refractive Index: 1.671
• Storage Temp.: 2-8°C
• PKA: 2.94±0.12(Predicted)
• CAS DataBase Reference: cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate(113770-65-3)
• EPA Substance Registry System: cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate(113770-65-3)

Safety Data

• Hazardous Substances Data: 113770-65-3(Hazardous Substances Data)

Usage

General Description

"Cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate" is a highly specific chemical compound that contains a variety of chemical structures, including a dichlorophenyl group, a triazol ring, a dioxolane ring, and a toluenesulfonate group. The name indicates the presence of isomerism (cis-), which is a type of structural variation in which atoms or groups of atoms can occupy different positions in relation to a given plane or other reference. The numberings in the name illustrate the specific arrangement of these functional groups attached to the parent structures. Given its specific structural design, this compound likely possesses unique physiological and chemical properties, however, specific information about the compound's uses, reactivity, and safety is not provided. As with other organic compounds, careful handling and appropriate safety measures should be taken when using this chemical compound in research or industrial applications.

InChI:InChI=1/C20H19Cl2N3O5S/c1-13-2-5-19(31(26,27)28)14(6-13)7-16-9-29-20(30-16,10-25-12-23-11-24-25)17-4-3-15(21)8-18(17)22/h2-6,8,11-12,16H,7,9-10H2,1H3,(H,26,27,28)/p-1

Upstream product

• 98-59-9 p-toluenesulfonyl chloride 
• 51704-66-6 (+/-)-2,3-dihydroxypropyl tosylate 
• 58905-16-1 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone 
• 23737-51-1 solketal tosylate 
• 4252-78-2 2,2',4'-trichloroacetophenone 
• 67914-85-6 cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol 
• 68751-57-5 2-(2,4-dichlorophenyl)-2-bromomethyl-4-hydroxymethyl-1,3-dioxolane 
• 172032-21-2 (2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl)methanol 
• 61397-56-6 (+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate 
• 2234-16-4 1-(2,4-dichlorophenyl)ethan-1-one 
• 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 
• 2631-72-3 2,4-dichlorophenacyl bromide 
• 41274-09-3 (R)-3-tosyloxy-1,2-propanediol 
• 23788-74-1 (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate 

Downstream Products

• 848585-69-3 (2R,4R,2'S)-Itraconazole 
• 154003-18-6 (2R,4S,2'R)-Itraconazole 
• 154003-20-0 (2S,4R,2'R)-Itraconazole 
• 848585-71-7 (2S,4S,2'S)-Itraconazole 
• 848585-68-2 (2R,4R,2'R)-Itraconazole 
• 154003-17-5 (2R,4S,2'S)-Itraconazole 
• 154003-19-7 (2S,4R,2'S)-Itraconazole 
• 848585-70-6 (2S,4S,2'R)-Itraconazole 
• 1339803-62-1 cis-(2S,4R)-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-methyl-3H-1,2,4-triazol-3-one 

Relevant articles and documents

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An optical pure itraconazole key intermediate and synthetic method and by the intermediate synthesis of optically pure itraconazole method

The invention disclsoes an optically pure itraconazole key intermediate and synthetic method thereof, and a method for synthesizing the optically pure itraconazole from the intermediate. The method of the invention uses 1-(2,4-dichlorobenzene)-2-(1-methylene-1,2,4-triazole)-1-ketone for preparing the optically pure itraconazole key intermediate, and the optically pure itraconazole key intermediate is used for the preparation of optically pure itraconazole. The method uses easily available raw materials, not only reduces the production cost, but also obtains the product with high purity; through the control of the optical purity of the key intermediate compound VII, the optical purity of the target product itraconazole can be effectively controlled; therefore, the invention has with industrial value.

Prepartion method of itraconazole

The invention discloses a preparation method of itraconazole. Raceme-glycidol which is cheap and easy to obtain is adopted as raw materials, hydroxyls at the two ends are protected by trityl and benzyl and then esterified by 2,4-dichlorobenzene formyl chloride, then, a silylation Grignard addition reaction and a beta-silicyl alcohol elimination reaction are adopted for reducing carbonyl into carbon-carbon double bonds, iodine is adopted for performing an olefin addition reaction and a stereoselectivity ring-closure reaction, triazole replacement and debenzylation are performed, and tosyl is introduced to obtain a compound 9; the compound and a compound 10 are subjected to a condensastion reaction to obtain itraconazole; the overall synthesis process is small in pollution, easy to process, few in by-product, high in reaction selectivity and purity, environmentally friendly, low in production cost and suitable for industrial production; the defects that in the prior art, the selectivity is poor, multiple by-products are produced, the yield is low, and expensive catalysts and reagents with large environmental pollution are avoided are avoided.