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CAS

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84682-23-5

2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL is an antifungal chiral drug, characterized by its unique molecular structure that includes a 2,4-dichlorophenyl group, an imidazole ring, and a 1,3-dioxolane-4-methanol moiety. 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL exhibits potent antifungal activity, making it a valuable asset in the development of new treatments for fungal infections.

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  • 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL

    Cas No: 84682-23-5

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  • 84682-23-5 Structure

  • Basic information

    1. Product Name: 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL
    2. Synonyms: 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL;2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YLMETHANOL;Einecs 283-585-7;(2-((1H-iMidazol-1-yl)Methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)Methanol;Ketoconazole Impurity 16
    3. CAS NO:84682-23-5
    4. Molecular Formula: C14H14Cl2N2O3
    5. Molecular Weight: 329.18
    6. EINECS: 283-585-7
    7. Product Categories: N/A
    8. Mol File: 84682-23-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 529.1 °C at 760 mmHg
    3. Flash Point: 273.8 °C
    4. Appearance: /
    5. Density: 1.48 g/cm3
    6. Vapor Pressure: 5.06E-12mmHg at 25°C
    7. Refractive Index: 1.637
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 14.20±0.10(Predicted)
    11. Water Solubility: 144mg/L at 20℃
    12. CAS DataBase Reference: 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL(CAS DataBase Reference)
    13. NIST Chemistry Reference: 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL(84682-23-5)
    14. EPA Substance Registry System: 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL(84682-23-5)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 84682-23-5(Hazardous Substances Data)

84682-23-5 Usage

Uses

Used in Pharmaceutical Industry:
2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL is used as an antifungal agent for the treatment of various fungal infections. Its chiral nature allows for the development of targeted therapies that can effectively combat fungal pathogens while minimizing side effects and drug resistance.
Used in Research and Development:
In addition to its clinical applications, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL METHYL)-1,3-DIOXOLANE-4-METHANOL is also utilized in research settings to study the mechanisms of antifungal action and to develop new strategies for combating drug-resistant fungal strains. Its unique structure provides a valuable tool for understanding the interactions between antifungal agents and their targets, ultimately contributing to the advancement of antifungal drug discovery.

Flammability and Explosibility

Notclassified

Check Digit Verification of cas no

The CAS Registry Mumber 84682-23-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,4,6,8 and 2 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 84682-23:
(7*8)+(6*4)+(5*6)+(4*8)+(3*2)+(2*2)+(1*3)=155
155 % 10 = 5
So 84682-23-5 is a valid CAS Registry Number.
InChI:InChI=1/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2

84682-23-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name [2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol

1.2 Other means of identification

Product number -
Other names EINECS 283-585-7

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:84682-23-5 SDS

84682-23-5Relevant articles and documents

Synthesis, antifungal activity and structure-activity relationships of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)- 1,3-dioxolanes

Baji,Kimny, Tan,Gasquez,Flammang,Compagnon,Delcourt,Mathieu,Viossat,Morgant,Nguyen-Huy

, p. 637 - 650 (2007/10/03)

A series of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1,3-dioxolanes Ia-u was synthesized and tested in vitro against pathogenic fungi in man, animals and plants: Candida albicans, Aspergillus flavus and Fusarium solani. Compounds Iq-t with two polyazol groups have an in vitro activity against these fungi with MIC (minimum inhibitory concentration) value of 5 μg mL-1.

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

Chapman, David R.,Bauer, Ludwig

, p. 2053 - 2061 (2007/10/02)

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.

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